Materials Literature
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EAF-slag have adequate technical properties for its use as aggregates. The MgO content is the main responsable of the expansions. The expansion produced affect in different way the new material depending of the rigidity of the matrices formed. EAF-slag shows hidraulicity and forms as reaction products CSH, calcium alu…
Structural correlations at a liquid-solid interface were explored with molecular dynamics simulations of a model aluminium system using the Ercolessi-Adams potential and up to 4320 atoms. Substrate atoms were pinned to their equilibrium crystalline positions while liquid atoms were free to move. The density profile at…
In an earlier report we explored structural correlations at a liquid-solid interface with molecular dynamics simulations of a model aluminium system using the Ercolessi-Adams potential and up to 4320 atoms. Substrate atoms were pinned to their equilibrium fcc crystalline positions while liquid atoms were free to move.…
A series of block copolymers functionalized with aromatic 1,3,4-oxadiazole and stilbene derivatives have been synthesized by the palladium catalyzed reaction between polystyrene- block -polyisoprene and different functional units. These polymers exhibited different emission properties in solution and in the solid stat…
The title trifunctional ligand has been prepared, and coordination chemistry with La(III), Pr(III), and Yb(III) has been examined to assess the ligand's chelation properties. In 1:1 complexes, the ligand binds in a bidentate mode to the Ln(III) ions through the pyridyl N-oxide group and unexpectedly with the “long-arm…
The photochemical and photooptical properties of the first-generation LC dendrimer with terminal azobenzene groups which forms a SmA mesophase in a wide temperature range have been studied. A comparative analysis of its photochemical behavior in a dilute solution and a thin film was carried out. Under the action of UV…
In the temperature range of 300-500 degrees C, solid nanocrystalline oxides react nearly stoichiometrically with numerous halocarbons, sulfur, and organophosphorus compounds. In some cases, the reaction efficiencies can be improved by the presence of a small amount of transition-metal oxide as catalyst; for example, F…
Stimulated by the report of high-yield, low-temperature catalytic conversion of methane to methyl bisulfate (Periana et al., Science 1998, 280, 560), we studied the relative stability and reaction mechanism of the Pt(NH 3 ) 2 Cl 2 and Pt(bpym)Cl 2 complexes in concentrated sulfuric acid. We find that the mechanism inv…
Three- and four-armed star-shaped poly(ε-caprolactone)s were synthesized from trimethylolpropane and pentaerythritol as initiators using fumaric acid as an activator of the monomer, respectively. Star-shaped poly(ε-caprolactone)s could be satisfactorily obtained, which was confirmed by size exclusion chromatography eq…
Addition of 2,2‘-bipyridyl to diamagnetic (Me 5 C 5 ) 2 Yb(OEt 2 ) gives the brown adduct (Me 5 C 5 ) 2 Yb(bipy). The solution 1 H NMR and electronic absorption spectra show that the bipyridyl complex is paramagnetic, containing a bipyridyl radical anion, which can also be detected in the solid-state infrared spectrum…
Reversion of the in-plane reorientation direction of mesogenic groups has been observed for the first time in novel polymethacrylate liquid crystal (PLC) films substituted with a 4-methoxycinnamoyloxybiphenyl side group. The reversion was generated by irradiation with linearly polarized ultraviolet (LPUV) light and a…
NaCeP(2)Se(6), Cu(0.4)Ce(1.2)P(2)Se(6), and AgCeP(2)Se(6) were prepared from nearly stoichiometric proportions of the starting materials plus extra selenium at 750-850 degrees C. Ce(1.33)P(2)Se(6) (or Ce(4)(P(2)Se(6))(3)) was obtained from the same reaction that produced Cu(0.4)Ce(1.2)P(2)Se(6). The structure of all f…
The role of electron localization for resonant photoemission and Auger resonant Raman scattering to occur in an extended system was studied by polarization dependent resonant photoemission at the Cu L edges. Auger resonant Raman scattering was observed for continuum excitation into van Hove singularities at the L(1) a…
In this study we report on the transport properties of the Ti-based ternary carbide ${\mathrm{Ti}}_{3}{\mathrm{SiC}}_{2}.$ The Hall effect and longitudinal magnetoresistance have been measured as a function of temperature in the 4--300 K range and at magnetic fields up to 5 T. The magnetoresistance is dominated by a p…
The electronic structure of the valence and conduction bands at the Si(100) surface has been studied by two-photon photoemission over a wide photon-energy range. The ionization energy was determined to $5.40\ifmmode\pm\else\textpm\fi{}0.03\mathrm{eV}.$ The occupied surface state at $\overline{\ensuremath{\Gamma}}$ is…
The low-lying electronic states of tetrathiafulvalene (TTF) and its radical cation (TTF + ) have been studied using the multistate extension of a multiconfigurational second-order perturbation method (MS−CASPT2). The minimum-energy equilibrium geometries optimized at the CASSCF level have a boatlike conformation for t…
Ab initio absorption spectra for ${\mathrm{Cd}}_{n}{\mathrm{Se}}_{n}$ clusters $(1<~n<~8)$ are calculated using an adiabatic time-dependent density functional formalism within the local density approximation (LDA). We find that the calculated spectra differ significantly from those computed using a simple LDA ap…
Bis(hexafluoroacetylacetonato(hfac))manganese(II) coordinated with di(4-pyridyl)phenylcarbene, Mn(II)(hfac)(2)[di(4-pyridyl)phenylcarbene] (1a) and its copper analogue Cu(II)(hfac)(2)[di(4-pyridyl)phenylcarbene] (2a) have attracted great interest from the viewpoint of photoinduced magnetism. The complexes 1a and 2a ar…
From high resolution neutron and synchrotron powder diffraction studies performed on the ideal cubic perovskite compound ${\mathrm{La}}_{0.5}{\mathrm{Ba}}_{0.5}{\mathrm{CoO}}_{3},$ we have observed the onset of a long-range tetragonal phase accompanying a para-ferromagnetic transition at ${T}_{C}\ensuremath{\sim}180 \…
Using density functional theory, we calculate the charge redistribution incurred upon forming multiwall carbon nanotubes, or by sandwiching initially isolated single-wall nanotubes between graphene layers. In these systems, we observe a significant charge transfer between the \ensuremath{\pi} electron system of the tu…