Materials Literature
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We report results of MD simulations of amorphous ice in the pressure range 0 - 22.5 kbar. The high-density amorphous ice (HDA) prepared by compression of Ih ice at T = 80 K is annealed to T = 170 K at intermediate pressures in order to generate relaxed states. We confirm the existence of recently observed phenomena, t…
We present the fabrication and test results of Hot-Isostatic-Pressed (HIPed) Powder-in-Tube (PIT) MgB$_2$ coils. The coils properties were measured by transport and magnetization at different applied fields ($H$) and temperatures ($T$). The engineering critical current ($J_e$) value is the largest reported in PIT MgB$…
We discuss a new mechanism of orbital ordering, which in charge transfer insulators is more important than the usual exchange interactions and which can make the very type of the ground state of a charge transfer insulator, i.e., its orbital and magnetic ordering, different from that of a Mott-Hubbard insulator. This…
Electronic structures and optical excitations in Moebius conjugated polymers are studied theoretically. Periodic and Moebius boundary conditions are applied to the tight binding model of poly(para-phenylene), taking into account of the exciton effects by long-range Coulomb interactions. We first discuss that oligomers…
Structural analysis of three libraries of up to five generations of self-assembling dendrons based on AB(3), AB(2), and combinations of AB(3) with AB(2) building blocks (Percec et al. J. Am. Chem. Soc. 2001, 123, 1302) facilitated the discovery of several nanoscale lattices previously unknown for organic compounds (3-…
We report the synthesis and characterization of several sizes of Mn-doped ZnO nanocrystals, both in the free-standing and the capped particle forms. The sizes of these nanocrystals could be controlled by capping them with polyvinylpyrollidone under different synthesis conditions and were estimated by X-ray diffraction…
We report a detailed magnetic and structural analysis of highly reduced Co doped rutile TiO(2-delta) films displaying an anomalous Hall effect (AHE). The temperature and field dependence of magnetization, and transmission electron microscopy, clearly establish the presence of nanosized superparamagnetic cobalt cluster…
Reactions at ionizable functional groups in extracellular polymeric substances (EPS) from Bacillus subtilis are found to affect aqueous phase conformation and adsorption to mineral surfaces. Characterization by HPSEC, XPS, and FTIR indicates a wide range in apparent molecular mass (0.57-128 kDa), with functional group…
By combining nonhydrolytic reaction with seed-mediated growth, high-quality and monodisperse spinel cobalt ferrite, CoFe(2)O(4), nanocrystals can be synthesized with a highly controllable shape of nearly spherical or almost perfectly cubic. The shape of the nanocrystals can also be reversibly interchanged between sphe…
Relations between direct and reciprocal basis vectors and the atomic displacement matrix and anisotropic temperature-factor matrix are provided for generic dimension n, introducing a few new symbols. The moments of the probability distribution of the anisotropic thermal ellipsoids are provided as functions of dimensio…
The structure and properties of the H-bonded liquid crystalline (LC) polymer grafted onto fluorocarbon polymer substrate were studied by the FTIR spectroscopy technique. The grafted LC polymer brush was prepared via “grafting from” polymerization of 4-(6-acryloyloxyhexyloxy)benzoic acid initiated from the surface of U…
Desalkylierung von nBu2SnO mit 1,1′-Ferrocendicarbonsäure führt zu einem gemischtvalenten Sn-SnO4-Cluster. Der kubische Zinn-Sauerstoff-Kern ist mit sechs Ferroceneinheiten über zwölf Carboxylatbrücken so verbunden, dass die Eisenzentren die Ecken eines regulären Oktaeders besetzen (siehe Struktur).
Twin laws for trigonal, tetragonal and hexagonal crystals describing twins with principal axes inclined by an angle Phi > 0 are analysed. Twins by reticular merohedry (i.e. obliquity delta = 0) are possible only for certain values s of the axial ratio c/a. For any other axial ratio r, the laws describe twinning by ret…
Abstract Intrinsic true stress–true strain response was evaluated at room temperature for three linear polyethylene samples deformed in conventional tensile tests. It was observed that high crystallinity is associated with a low rate of strain hardening that results in a sharp neck and a large drop in nominal stress.…
Several new high μβ chromophores have been synthesized. These chromophores were intentionally designed to study structure−property relationships. The synthetic strategy that was followed has been described in our previous publications. Chromophore photostability was investigated from a structural point of view. Contac…
Cocrystallization and phase segregation in blends of poly(3-hydroxybutyrate- co -3-hydroxyvalerate) [PHBV] and poly(3-hydroxybutyrate- co -3-hydroxypropionate) [PHBP] at 80−100 °C were analyzed through the in situ observation of crystallization by FTIR microscopy and the measurement of melting curve by DSC. To trace t…
The demetalation process of 10 multi-iron Wells-Dawson polyoxometalates is studied by cyclic voltammetry and controlled potential coulometry. Eight sandwich-type complexes (alphaalphaalphaalpha-Na(16)[(NaOH(2))(2)(Fe(III))(2)(X(2)W(15)O(56))(2)], alphaalphabetaalpha-Na(14)[(NaOH(2))(Fe(III)OH(2))(Fe(III))(2)(X(2)W(15)…
Abstract As one member of high performance fibers, aromatic polyimide fibers possess many advantages, such as high strength, high modulus, high and low temperature resistance, and radiation resistance. However, the preparation of the high performance fibers is so difficult that the commercial fibers have not been prod…
New rod−coil copolymers based on poly( p -phenylene benzobisoxazole) (PBO) have been synthesized and characterized to explore a new ordered molecular structure at the supramolecular level for regulating photophysical properties and obtaining new blue light-emitting materials. The microstructure and physical properties…
The electronic structure of tetracyanoethylene (TCNE) has been studied both in its pristine state and upon stepwise rubidium intercalation, by UV and x-ray photoelectron spectroscopy as well as with theoretical calculations. The intercalated system may serve as a model for TCNE-based organometallic magnets, of which t…