Materials Literature
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In the present work we reply to the Comment by Catalan and Scott (cond-mat/0607500) on two of our papers. This Comment has been rejected from publication in Physical Review Letters and, hence, our Reply is based on the cond-mat version.
Given an unconditionally stable algorithm for solving the Cahn-Hilliard equation, we present a general calculation for an analytic time step Deltatau in terms of an algorithmic time step Deltat. By studying the accumulative multistep error in Fourier space and controlling the error with arbitrary accuracy, we determin…
We demonstrate the utility of Raman spectroscopy as a technique for the identification of ancient glasses and enamel coatings of ceramics. As for any silicate glasses, the addition of network modifiers breaks the Si-O linkages and modifies the degree of polymerisation and hence the relative intensity of the Si-O bendi…
The temperature dependence of the frequency shift and spin-lattice relaxation rate of isolated, nonmagnetic Li-8 impurities implanted in a nearly ferromagnetic host (Pd) are measured by means of beta-detected nuclear magnetic resonance (b-NMR). The shift is negative, very large and increases monotonically with decreas…
A straightforward strategy is proposed for the derivatization of poly(ε-caprolactone) (PCL). First, statistical copolymerization of α-chloro-ε-caprolactone (αClεCL) with ε-caprolactone (εCL) was initiated by 2,2-dibutyl-2-stanna-1,3-dioxepane (DSDOP). In a second step, pendent chlorides were converted into azides by r…
Zero, one, or three? The role of Au0, AuI, and AuIII cations in the heterogeneous gold catalyst Au/CeO2 was investigated with the copper-free Sonogashira cross-coupling reaction of iodobenzene and phenyl acetylene (see picture). Reactions carried out under both heterogeneous and homogeneous conditions using distinct A…
Superhydrophobic surfaces with contact angles between 173° and 180° can be produced simply by spontaneous deposition of a textured gold or silver coating layer, followed by a self-assembled monolayer of polyfluoroalkyl thiol. Objects of any size or shape may be coated. For example, the metal “pond skater” (photo) stan…
Shells within shells: Simply varying the concentration of the cetyltrimethylammonium bromide surfactant in a template process leads to single-, double-, triple-, and quadruple-shelled Cu2O hollow spheres (see TEM image). Thus, the vesicle-directed synthesis of inorganic multishelled hollow spheres is feasible.
Abstract The morphologies of triblock copolymer/homopolymer blend films confined between two neutral hard walls were studied via MC simulations on a simple cubic lattice. For ABA/A and ABA/B blend films, the effects of φ h (the volume fraction of the homopolymer) and M h / M b (the ratio of the molecular mass of the h…
Abstract Monte Carlo simulations were carried out to investigate the adsorption of semiflexible chains from a semidilute solution to substrates with periodic stripes of width w . The chains are made of fused N = 10 monomers of diameter σ interacting with each other through excluded volume interactions and with the str…
The time-dependent generalized unrestricted Hartree-Fock (TDGUHF) method combined with a two-component quasi-relativistic Hamiltonian generated from the Douglas-Kroll-Hess (DKH) transformation was developed to calculate frequency-dependent molecular magnetizabilities, which are the linear response quantity of a molecu…
The fact that the elastic constant for bending a layer of smectic- C liquid crystal along its c director differs from the value for bending in the perpendicular direction has recently been shown to give rise to interactions between distant layers. The effect of this entropy-induced interaction is to favor a parallel o…
Zwischen den Zeilen: Funktionalisierte einwandige Kohlenstoffnanoröhren (SWNTs) können in der hexagonalen kolumnaren Mesophase diskotischer Flüssigkristalle (DLCs) eingelagert werden. Die thermophysikalischen Eigenschaften von SWNT-DLC-Kompositen sprechen für einen Einschluss der SWNTs in die supramolekulare DLC-Struk…
Abstract The series of supramolecular complexes (Hg 6 As 4 )(CdCl 6 )Hg 0.5 ( 1 ), (Hg 6 As 4 )(HgCl 6 )Hg 0.5 ( 2 ), (Hg 6 As 4 )(CdBr 6 ) ( 3 ), and (Hg 6 Sb 4 )(CdI 6 )Hg 0.6 ( 4 ) has been prepared by a solid‐state reaction and their crystal structures determined by single‐crystal X‐ray diffraction. All these comp…
Die vorhergesagten endohedralen ikosaedrischen Cluster Pu@Pb12 (siehe Bild; Pu blau, Pb gelb) und [Am@Pb12]+ haben ein äußeres 32-Elektronensystem, das formal besetzten 7s-, 7p-, 6d- und 5f-Actinoidorbitalen entspricht, von denen jedes mit einem 6p-basierten Pb-Orbital des [Pb12]2−-Käfigs wechselwirkt. Diese Untersuch…
The polymorphism of a new organosiloxane tetrapode compound with cyano terminal polar groups was characterized by means of polarizing optical microscopy and x-ray diffraction. The compound exhibits smectic- A and smectic- C phases with a partial bilayer arrangement due to a certain degree of head-to-head association o…
Ein einfacher Lösungsprozess unter Umgebungsbedingungen an Luft ohne Hilfe durch ein Tensid, einen Katalysator oder ein Templat ergab Einkristallmikroröhren mit rechteckigen Querschnitten aus [2-(p-Dimethylaminophenyl)ethenyl]phenylmethylenpropandinitril (DAPMP). Die DAPMP-Mikroröhren (siehe REM-Aufnahmen) zeigen ausg…
The orientation of a ${\mathrm{C}}_{70}$ fullerene molecule encapsulated in a single-walled carbon nanotube (SWCNT) depends on the tube radius. First we confirm that chirality effects do not affect the orientation as well by comparing discrete atomistic calculations with the results of a continuous tube approximation…
We report on the measurement of the Raman intensity of radial breathing modes of a relatively large diameter range of single-walled carbon nanotubes (SWNTs) by confocal Raman scattering. Statistical data analysis yielded an intensity distribution within the excitation width of the single laser line at $2.33\phantom{\r…
The metamagnetic-like transitions and giant magnetocaloric effect were observed with the magnetic field applied parallel to the $a$ and $c$ axes, but not the $b$ axis in a ${\mathrm{Tb}}_{5}{\mathrm{Si}}_{2.2}{\mathrm{Ge}}_{1.8}$ single crystal. The in situ x-ray powder diffraction study indicates that these metamagne…