Materials Literature
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Two different condensations of appropriate dipyrromethanes and aldehydes resulted in two structural isomers of metal-free, meso -substituted diferrocenyldipentafluorophenyl porphyrins, one with the ferrocenyl groups in the 5,15 positions, 6, and the other with the ferrocenyl groups in the 5,10 positions, 7 . UV/vis sp…
A recent article by Shi et al. [J. Chem. Phys.123, 174507 (2005)] reports results from mechanical measurements on three simple inorganic glass formers: glycerol, m-toluidine, and sucrose benzoate. The experiments carried out were stress relaxation, aging, and dynamic (all in shear) using a torsional rheometer, an adva…
Abstract The hydrothermal reaction of an aqueous ammonium heptamolybdate solution with cobalt or copper metal salts in the presence of imidazole (imi) or pyrazole (pz) in the temperature range 120–180 °C and at autogenous pressure yields four fully oxidized metal‐complex‐templated octamolybdates, namely [{Cu I (imi) 2…
Photoisomerization studies on a tetranuclear macrocyclic gold(I) alkynyl phosphine complex demonstrate the generation of a dual-input molecular logic with photoswitching behavior that can be controlled by addition or removal of silver(I) ions.
Dislocation and grain-boundary processes contribute significantly to plastic behaviour in polycrystalline metals, but a full understanding of the interaction between these processes and their influence on plastic response has yet to be achieved. The coupled atomistic discrete-dislocation method is used to study edge d…
We present the polarized Raman spectra of $\mathrm{La}\mathrm{Cr}{\mathrm{O}}_{3}$ measured between 5 and $863\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ in several exact scattering configurations. All Raman lines below $600\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$ are assigned to definite phonon modes of…
We present the first study relating structural parameters of precipitate-free Ge0.95Mn0.05 films to magnetization data. Nanometer-sized clusters--areas with increased Mn content on substitutional lattice sites compared to the host matrix--are detected in transmission electron microscopy analysis. The films show no ove…
The crystal structure of the αI-phase of quinacridone was determined from non-indexed X-ray powder data by means of crystal structure prediction and subsequent Rietveld refinement. This αI-phase is another polymorph than the α-phase reported by Lincke [G. Lincke and H.-U. Finzel, Cryst. Res. Technol. 1996, 31, 441–452…
The structural properties of three compositions of phosphosilicate glasses are investigated by means of molecular dynamics computer simulations using a new potential model incorporating polarization effects. Structural features of the three compositions are compared in order to highlight the effect of the composition…
We have investigated random submonolayer films of 3d transition metals on W(001). The tight-binding linear muffin-tin orbital method combined with the coherent potential approximation was employed to calculate the electronic structure of the films. We have estimated local magnetic moments and the stability of differen…
A quinary (La0.5Ce0.5)65Al10(Co0.6Cu0.4)25 alloy with superior glass-forming ability (GFA), identified by the formation of fully glassy rod of 32 mm in diameter by tilt-pour casting, was reported. By comparing with the GFA of quarternary (La0.5Ce0.5)65Al10TM25 and ternary Ln65Al10TM25 alloys (Ln = La or Ce; TM = Co or…
We study the non-collinear exchange coupling across a trilayer magnetic junction consisting of two ferromagnets separated by a thin dilute magnetic semiconductor containing itinerant carriers with finite spin relaxation. It is remarkable that, by increasing the spin relaxation, the critical temperature is substantiall…
The unusual transport properties of graphene are the direct consequence of a peculiar bandstructure near the Dirac point. We determine the shape of the pi bands and their characteristic splitting, and the transition from a pure 2D to quasi-2D behavior for 1 to 4 layers of graphene by angle-resolved photoemission. By e…
The model of endofullerenes M@C60 with M=Li,Na,Cs,Cu,Ag are proposed for study an effect of the nature of endoatoms upon features of the minimum energy structures. They were calculated by SCF Hartree-Fock method with ECP (Ag and Cs) and all-electronic basis sets assuming arbitrary symmetry distortion (C1 point group).…
Recently new incipient ferroelectrics with off-center ions SrTiO3 with Mn2+ substituted for Sr2+ was revealed (Tkach et. al PRB 73, 104113 (2006). Experimental investigation of Sr1-xMnxTiO3 properties, namely temperature, frequency and external electric field dependence of dielectric permittivity at different concentr…
The glass-formation range of bulk metallic glasses (BMGs) based on lanthanum and cerium was pinpointed in La-Al-Co, Ce-Al-Co and pseudo-ternary (La-Ce)-Al-Co system respectively by copper mold casting. Through the stepwise substitution of La for solvent Ce in (LaxCe1-x)65Al10Co25 alloys (0
Recently de Boissieu et al. proposed an explanation for the broadening of acoustic modes observed in quasicrystals (QC). It is the transcription of a well-known model used for glasses. We raise two fundamental objections against applying it to QC. After the text of the Comment we report the methodology that has been u…
The composition of biologic molecules isolated from biominerals suggests that control of mineral growth is linked to biochemical features. Here, we define a systematic relationship between the ability of biomolecules in solution to promote the growth of calcite (CaCO3) and their net negative molecular charge and hydro…
A variety of organocatalysts has been surveyed in the ring opening polymerization of trimethylene carbonate. Excellent control was found for several of these catalysts yielding well-defined polycarbonates with molecular weights up to 50,000 g mol(-1), polydispersities below 1.08, and high end-group fidelity. Melt or b…
We report a study of the oxidation of CO on a gold nanotip in the presence of high electrostatic fields. With the binding energies obtained using density functional theory as a function of the electric field, a simple field-dependent kinetic model based on the Langmuir-Hinshelwood mechanism is set up. We show that the…