Materials Literature
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By quenching into the metastable region of the three-dimensional Ising model, we investigate the paths that the magnetization (energy) takes as a function of time. We accumulate the magnetization (energy) paths into time-dependent distributions from which we reconstruct the free energy as a function of the magnetic fi…
For growing inhomogeneous thin films with an island nanostructure similar as observed in experiment, we determine the nonequilibrium and equilibrium remanent magnetization. The single-island magnetic anisotropy, the dipole coupling, and the exchange interaction between magnetic islands are taken into account within a…
Several methodologies are developed for large-scale atomistic simulations with fully quantum mechanical description of electron systems. The important methodological concepts are (i) generalized Wannier state, (ii) Krylov subspace and (iii) hybrid scheme within quantum mechanics. Test calculations are done with upto 1…
Prolonged storage ( approximately 2 years) or gentle heating (50-80 degrees C) of crystalline 2,5-dibromo-3,4-ethylenedioxythiophene (DBEDOT) affords a highly conducting, bromine-doped poly(3,4-ethylenedioxythiophene) (PEDOT), as confirmed by solid-state NMR, FTIR, CV, and vis-NIR spectroscopies. The novel solid-state…
Three-dimensional anisotropic aligned carbon nanotube microstructures were constructed by the chemical vapor deposition method on silicon templates with well-defined structure. It brought about new properties of wettability. Superhydrophobic (contact angle > 150 degrees ) and very hydrophilic (contact angle < 30 degre…
The stability of a periodic array of particles settling in a viscous incompressible fluid under the influence of gravity is investigated in the framework of the point sedimentation model. The simple cubic array is unstable, but the body-centered and face-centered cubic arrays with gravity directed along one of the cry…
Abstract Sequential interpenetrating polymer networks (IPNs) based on nitrile rubber and poly(methyl methacrylate) (PMMA) were synthesized. IPN compositions were varied by varying the swelling time. Two methods were adopted for making IPNs. The first method is “single‐step IPN” (SIPN) and the second method is “multist…
Sectorization is frequently observed in elongated rectangular single crystals of syndiotactic polypropylene (s-PP) grown from the melt in thin films. The crystals are bound laterally by {100} and {010} growth planes. The constituent sectors are readily observed because of a difference in thicknesses; specifically, the…
We have studied the effective separation of photogenerated electrons and holes in the TiO 2 /VO 2 /TiO 2 multilayer film electrodes prepared by a sputtering method, in which a very thin VO 2 layer was inserted into the space charge layer of a TiO 2 electrode. The photoelectrochemical properties, which were measured wi…
The efficient synthesis of a number of novel poly(ethylene glycol)-based branched soluble polymer supports with high loading capacities has been developed. These compounds are characterized and tested for their loading levels utilizing a number of coupling reactions.
Gleiten durch das Gitter: Molekularer Sauerstoff reagiert in einem Radikalmechanismus mit Kristallen des Chinodimethans 1 zu einem hochkristallinen alternierenden Copolymer. Die röntgenographische Untersuchung ergab, dass die einzigartige Anordnung von 1 im Kristall für die Copolymerisation entscheidend ist.
Steady-state absorption and emission as well as time-resolved fluorescence spectra of NR (nile red) and ZnP (zinc tetraphenylporphyrin) were studied in a variety of solvents. All spectra were decomposed as a sum of Gaussian bands, and the spectral shifts found were analyzed in terms of the general solvatochromic theor…
Electrical resistivity of ${\mathrm{Al}}_{82.6\ensuremath{-}x}{\mathrm{Re}}_{17.4}{\mathrm{Si}}_{x}$ $(7<~x<~12)$ 1/1-1/1-1/1 approximants was discussed in terms of their electronic structure near the Fermi level and the local atomic arrangements. Strong composition dependence of the electrical resistivity was o…
Slipping through the lattice: Molecular oxygen reacts with crystals of quinodimethane 1 to give highly crystalline alternating copolymers by means of a radical mechanism. An X-ray crystallographic study indicates that the unique arrangement of 1 in the crystal is crucial to the copolymerization.
Abstract Porous conducting polypyrrole (PPy) films have been obtained by electrochemical synthesis–solvent extraction method. The results of scanning electron microscopy (SEM) show that the size and the distribution of pores can be controlled during the electrochemical synthesis. The porous PPy films have sufficiently…
The in vitro rate and specificity of fibrillogenesis in type I collagen depends on the integrity of the amino (N)-telopeptide domain. In vivo an intact N-telopeptide domain is also required for normal fibril assembly. Although Chou-Fasman predictions and NMR studies suggested that a type I beta-turn could be induced i…
A high-purity ${\mathrm{Sr}}_{2}{\mathrm{FeMoO}}_{6}$ sample was synthesized. According to Rietveld analysis of x-ray diffraction (XRD) data the occupancy of Fe at its regular B site was 95.6% with the rest occupying the Mo site, i.e., the antisite of Fe. Despite this, according to ${}^{57}\mathrm{Fe}$ M\"ossbauer spe…
The development of synthetic biodegradable polymers, such as poly(alpha-hydroxy acid), is particularly important for constructing medical devices, including scaffolds and sutures, and has attracted growing interest in the biomedical field. Here, we report a novel approach to preparing high molecular weight poly(malic…
Picosecond transient absorption spectroscopy of diiron(III) mu-oxo bisporphyrins appended to xanthene, (DPX)Fe2O and (DPXM)Fe2O, and dibenzofuran (DPD)Fe2O have been investigated in order to decipher the effect of a spring-loaded cleft on their photophysics and attendant oxidation photocatalysis. The tension of the co…
A novel, structurally characterized Ni(III) complex of an N-confused porphyrin inner C-oxide has been synthesized from the oxidation of a Ni(II) N-confused porphyrin using OsO4. Crystal data: C53H40N5NiO.CH2Cl2, monoclinic, space group P2/a (No. 13), a=21.229(1) A, b=8.6451(5) A, c=25.762(2) A, beta=93.004(3) degrees,…