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Abstract The diffusion mechanisms in P2 (prismatic) Na x CoO 2 are studied using ab initio molecular dynamics simulations and nudged elastic band calculations.
No abstract available.
The\nfirst unsubstituted olefin-linked covalent organic framework,\ntermed COF-701, was made by linking 2,4,6-trimethyl-1,3,5-triazine\n(TMT) and 4,4′-biphenyldicarbaldehyde (BPDA) through Aldol\ncondensation. Formation of the unsubstituted olefin (-CHCH-)\nlinkage upon reticulation is confirmed by Fourier transform infrared\n(FT-IR) spectroscopy and solid-state <sup>13</sup>C cross-polarization\nmagic angle spinning (CP-MAS) NMR spectroscopy of the framework and\nof its <sup>13</sup>C-isotope-labeled analogue. COF-701 is found to\nbe porous (1715 m<sup>2</sup> g<sup>–1</sup>) and to retain\nits composition and crystallinity under both strongly acidic and basic\nconditions. The high chemical robustness is attributed to the unsubstituted\nolefin linkages. Immobilization of the strong Lewis acid BF<sub>3</sub>·OEt<sub>2</sub> in the pores of the structure yields BF<sub>3</sub>⊂COF-701. In the material, the catalytic activity of\nthe guest is retained, as evidenced in a benchmark Diels–Alder\nreaction.
A new method for assessing the similarity of material compositions is described. A similarity measure is important for the classification and clustering of compositions. The similarity of the material compositions is calculated utilizing a data-mined ionic substitutional similarity based upon the probability with which two ions will substitute for each other within the same structure prototype. The method is validated via the prediction of crystal structure prototypes for oxides from the Inorganic Crystal Structure Database, selecting the correct prototype from a list of known prototypes within five guesses 75% of the time. It performs particularly well on the quaternary oxides, selecting the correct prototype from a list of known prototypes on the first guess 65% of the time.
We are grateful to Professor Patrizio Neff for drawing our attention to an incorrect statement in the paper, to the effect that the conditions listed in ( In fact, these inequalities are shown in the paper to be necessary and sufficient for the polyconvexity of the function defined by (38). However, not every polyconvex, isotropic function is expressible in the form (38), and so the conditions (43), while sufficient for polyconvexity of an isotropic strain-energy function, are not necessary.
For the class of Δ-nonlinear networks which admits of an equivalent Y-nonlinear network representation, explicit procedures are given for determining the voltage-current characteristic curves of the nonlinear resistors in the Y network. These characteristic curves are obtained from the nonlinear transfer-characteristic plots of three associated resistive nonlinear networks.
De los relatos que Jack London ha consagrado al boxeo, A Piece of Steak es sin dudas aquel que merece hoy nuestra mayor atención, e incluso un lugar en el panteón de los textos literarios sobre el Noble Arte, y junto a él otros tres títulos...
A method for is disclosed for fabricating diluted magnetic semiconductor (DMS) nanowires by providing a catalyst-coated substrate and subjecting at least a portion of the substrate to a semiconductor, and dopant via chloride-based vapor transport to synthesize the nanowires. Using this novel chloride-based chemical vapor transport process, single crystalline diluted magnetic semiconductor nanowires Ga.sub.1-xMn.sub.xN (x=0.07) were synthesized. The nanowires, which have diameters of .about.10 nm to 100 nm and lengths of up to tens of micrometers, show ferromagnetism with Curie temperature above room temperature, and magnetoresistance up to 250 Kelvin.