Materials Literature
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We conduct extensive molecular dynamics computer simulations of two models for liquid silica [the model of Woodcock, Angell and Cheeseman, J. Phys. Chem. 65, 1565 (1976); and that of van Beest, Kramer, and van Santen, Phys. Rev. Lett. 64, 1955 (1990)] to determine their thermodynamic properties at low temperature T ac…
The phase diagram of the organic superconductor kappa-(ET)2Cu[N(CN)2]Cl has been accurately measured from 1H NMR and ac susceptibility techniques under helium gas pressure. The domains of stability of antiferromagnetic and superconducting orders in the pressure vs temperature plane have been determined. Both phases ov…
We review and compare electronic transport in different types of conducting polymer: conjugated organic polymers, the inorganic polymer polysulphur nitride, alkali-metal fulleride polymers, and carbon nanotubes. In each case, the transport properties show some unusual features compared to conventional metals. In conju…
Polarized micro-Raman spectroscopy has been performed on spatially separated single-wall carbon nanotubes (SWNTs) in the form of individual nanotubes or thin ropes of only a few SWNTs. Different from bulk samples, the Raman spectra are composed of well-resolved peaks which allow a direct comparison of experimental dat…
Electron microscope imaging for gadolinium metallofullerenes encapsulating in single-wall carbon nanotubes $[(\mathrm{Gd}@\mathrm{C}{}_{82}{)}_{n}@\mathrm{SWNTs}]$ identifies the single Gd atom encaged in each. The intermolecular distance between $\mathrm{Gd}@\mathrm{C}{}_{82}$ is extremely regular, regarding the chai…
Thin films of β-Ga2O3 with an energy band gap of 4.9 eV were prepared on silica glass substrates by a pulsed-laser deposition method. N-type conductivity up to ∼1 S cm−1 was obtained by Sn-ion doping and deposition under low O2 partial pressure (∼10−5 Pa) at substrate temperatures above 800 °C. The resulting internal…
Reactions of M(allyl) 3 [M = Rh, Ir] with a variety of donor ligands have been investigated. While both complexes are unreactive toward “hard” N- and O-donor ligands, “soft” ligands such as tolylisothiocyanate, tertiary phosphines, CO, and aryl isocyanides are readily added. Whereas ligand additions to Rh(allyl) 3 are…
Cp2M(dithiolene) (M = MoIV, WIV) d2 complexes exhibit a folding (theta) of the MS2C2 metallacycle along the S-S axis upon oxidation to the d1 paramagnetic cation. The evolution of the peculiar unfolded structure (theta = 0 degree) of Cp2Mo(dmit).+ (dmit2-, 2-thioxo-1,3-dithiole-4,5-dithiolate) in its AsF6- salt toward…
A new addition to the family of single-molecule magnets is reported: an Fe10 cage stabilized with benzoate and pyridonate ligands. Monte Carlo methods have been used to derive exchange parameters within the cage, and hence model susceptibility behavior.
Molecular dynamics computer simulations of Mg/Al hydrotalcite with interlayer Cl - were performed to better understand the structure of layered double hydroxides and their hydration behavior. A set of models with variable numbers of interlayer water molecules was investigated, with the assumption of no constraints on…
A synthesis procedure is described for making functionalized mesoporous silica macrostructures that can serve as self-supporting adsorbents for environmental remediation and other separations applications. The material, whose mesopores were functionalized with 3-mercaptopropyltrimethoxysilane ligands, can be made into…
Monodisperse polyphenylene dendrimers up to the fourth generation were synthesized using a divergent growth protocol. By varying the core, dendrimers with dumbbell-, tetrahedral- and propeller-like structures were synthesized. Because of the high-density packing of benzene rings within their branches, these dendrimers…
The electrical and magnetic properties of kappa-(BETS)(2)FeBr(4) salt [where BETS = bis(ethylenedithio)tetraselenafulvalene] showed that this system is the first antiferromagnetic organic metal at ambient pressure (T(N) = 2.5 K). The characteristic field dependence of the magnetization at 2.0 K indicates a clear metam…
As a model system for the photoinduced/photoswitched spin alignment in a purely organic pi-conjugated spin system, 9-[4-(4,4,5,5-tetramethyl-1-yloxyimidazolin-2-yl)phenyl]anthracene (1a), 9-[3-(4,4,5,5-tetramethyl-1-yloxyimidazolin-2-yl)phenyl]anthracene (1b), 9,10-bis[4-(4,4,5,5-tetramethyl-1-yloxyimidazolin-2-yl)phe…
Epitaxial metastable (GaAs)1x(Ge2)x thin films have been grown on GaAs(100) in a rf planar magnetron sputtering system (MS), without As overpressure, throughout most of the full compositional x range. The structural and compositional properties are investigated by high resolution x-ray diffraction (HRXRD) and secondar…
Chlorinated poly(vinyl chloride) (CPVC) obtained through a dry chlorination of PVC films or grains can show a heterogeneous repartition of its chlorine atoms because the reaction process is limited by the mass transfer of the chlorine gas in the material. In order to describe the evolution of such a system, a set of c…
SrVO 3 films were grown by laser molecular beam epitaxy on LaAlO3 substrates. For a 10-nm-thick film, its resistivity could be reduced by a factor of 4 by inserting a single La–O atomic layer on an oxygen-annealed LaAlO3 substrate. X-ray diffraction and x-ray photoelectron spectroscopy measurements revealed that oxyge…
Polarized photoluminescence as well as birefringence measurements have been performed in different films of side-chain liquid crystal polyacrylates prepared by in situ photopolymerization. The polymeric systems contain a cyanoterphenyl chromophore covalently bound as a side group. The stability of the luminescence has…
We have investigated the photophysics of the luminescent polymer poly(1,3-phenylenevinylene-alt-2,5-dioctyloxy-1,4-phenylenevinylene) by a variety of optical spectroscopies. The incorporation of alternating meta-phenylene and para-phenylene rings restricts conjugation with respect to poly(para-phenylenevinylene) deriv…
The availability of the parent compound, meso-hexaethylporphodimetheneiron(II), [(Et6N4)Fe] (2), of this report results from a novel synthetic methodology that makes [Et6N4Li2] (1) easily available. The major focus is on how the axial positions, which are the key reactive sites in metalloporphyrins, and the electronic…