Materials Literature
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The random first-order transition theory of the dynamics of supercooled liquids is extended to treat aging phenomena in nonequilibrium structural glasses. A reformulation of the idea of "entropic droplets" in terms of libraries of local energy landscapes is introduced which treats in a uniform way the supercooled liqu…
We have demonstrated that a bipyrimidinylplatinum-polyoxometalate, [Pt(Mebipym)Cl2]+[H4PV2Mo10O40]-, supported on silica is an active catalyst for the aerobic oxidation of methane to methanol in water under mild reaction conditions. Further oxidation of methanol yields acetaldehyde. The presence of the polyoxometalate…
We review our previous work on the dynamic structure factor S(k,omega) of liquid Ge (l-Ge) at temperature T = 1250 K, and of amorphous Ge (a-Ge) at T = 300 K, using ab initio molecular dynamics [Phys. Rev. B67, 104205 (2003)]. The electronic energy is computed using density-functional theory, primarily in the generali…
A novel one pot process has been developed for the preparation of PbS nanocrystals in the conjugated polymer poly 2-methoxy,5-(2 -ethyl-hexyloxy-p-phenylenevinylene) (MEH-PPV). Current techniques for making such composite materials rely upon synthesizing the nanocrystals and conducting polymer separately, and subseque…
Recent controversy about the space group of the low temperature superlattice phase of Pb(Zr0.52Ti0.48)O3 is settled. It is shown that the R3c space group for the superlattice phase cannot correctly account for the peak positions of the superlattice reflections present in the neutron diffraction patterns. The correct s…
We report a simple one pot process for the preparation of lead sulphide (PbS) nanocrystals in the conjugated polymer MEH-PPV, and we demonstrate electronic coupling between the two components.
Ab initio self-consistent total energy calculations using second order Moller-Plesset perturbation theory and Hay-Wadt effective core potentials with associated basis sets (HWECP's) for gallium and arsenic have been used to investigate the chemisorption properties of atomic aluminum on the Ga-rich GaAs(100)-(2x1) and…
Owing to their unsurpassed photostability, defects in solids may be ideal candidates for single-photon sources. Here we report on generation of single photons by optical excitation of a yet unexplored defect in diamond, the nickel–nitrogen complex (NE8) centre. The most striking feature of the defect is its emission b…
The interatomic exchange interactions and Curie temperatures in $\mathrm{Ni}$-based full Heusler alloys ${\mathrm{Ni}}_{2}\mathrm{Mn}X$ with $X=\mathrm{Ga},\mathrm{In},\mathrm{Sn}$, and $\mathrm{Sb}$ are studied within the framework of the density-functional theory. The calculation of the exchange parameters is based…
We describe the design of fluorescent, thermoresponsive microgels surface-functionalized with folic acid. Incubation of these particles with KB cells grown in folate-free medium results in efficient endocytosis of the particles via a receptor-mediated pathway. Laser scanning confocal microscopy and flow cytometry show…
Interface-selective probing of magnetism is a key issue for the design and realization of spin-electronic junction devices. Here, magnetization-induced second-harmonic generation was used to probe the local magnetic properties at the interface of the perovskite ferromagnet La(0.6)Sr(0.4)MnO3 with nonmagnetic insulatin…
Abstract An overview is presented of the literature on thermal decomposition, combustion and fire‐retardancy of polyurethane (PU) elastomers, PU‐based coatings, rigid and flexible PU foams. A brief overview of the structure of PU polymeric networks is helpful for a better understanding of the thermal decomposition and…
The line energy associated with the triple phase contact line is a function of local surface defects (chemical and topographical); however, it can still be calculated from the advancing and receding contact angles to which those defects give rise. In this study an expression for the line energy associated with the tri…
A progressive reduction of tetragonal distortion, heat of transition, Curie temperature, and relative dielectric constant has been observed on dense ${\mathrm{BaTiO}}_{3}$ ceramics with grain size decreasing from 1200 to $50\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$. The correlations between grain size, extent of tetrago…
The plastic behavior of crystalline materials is mainly controlled by the nucleation and motion of lattice dislocations. We report in situ dynamic transmission electron microscope observations of nanocrystalline nickel films with an average grain size of about 10 nanometers, which show that grain boundary-mediated pro…
Tellurite glasses are important for nonlinear optical applications. We report measurements of the spectrum of empty states in tellurium oxide, using the method of electron energy-loss spectroscopy based on excitations from inner shells. This near-edge structure is completely dominated near the threshold by core-hole e…
A Landau theory for surface enhanced ordering in free-standing smectic-A films is described, based on a generalization of de Gennes's "presmectic" model to systems which undergo a first-order smectic-isotropic transition in bulk. As found in related work on phase transitions in thin films, the system exhibits three ph…
Dry reverse micelles of AOT in isooctane spontaneously undergo a microstructural transition to an organogel upon the addition of a phenolic dopant, p-chlorophenol. This microstructural evolution has been studied through a combination of light scattering, small-angle neutron scattering (SANS), NMR, and rheology. Severa…
Accurate and precise determinations of thermodynamic parameters of binding are important steps toward understanding many biological mechanisms. Here, a multi-method approach to binding analysis is applied and a detailed error analysis is introduced. Using this approach, the binding thermodynamics and kinetics of the r…
First and second generations of 1 → (2 + 1) C-branched metallodendrimers were prepared employing terpyridine−Ru II −terpyridine connectivity. Each surface dendron is comprised of a terpyridinyl (focal group), a diester (capable of easy hydrolysis), and a terminal adamantyl moiety (for encapsulation). Internal incorpor…