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1.
Lithium Insertion Mechanism in Iron-Based Oxyfluorides with Anionic Vacancies Probed by PDF Analysis
Dr. Damien Dambournet Dr. Karena W Chapman Dr. Mathieu Duttine Dr. Olaf Borkiewicz Dr. Peter J Chupas Dr. Henri Groult 《ChemistryOpen》2015,4(4):443-447
The mechanism of lithium insertion that occurs in an iron oxyfluoride sample with a hexagonal–tungsten–bronze (HTB)-type structure was investigated by the pair distribution function. This study reveals that upon lithiation, the HTB framework collapses to yield disordered rutile and rock salt phases followed by a conversion reaction of the fluoride phase toward lithium fluoride and nanometer-sized metallic iron. The occurrence of anionic vacancies in the pristine framework was shown to strongly impact the electrochemical activity, that is, the reversible capacity scales with the content of anionic vacancies. Similar to FeOF-type electrodes, upon de-lithiation, a disordered rutile phase forms, showing that the anionic chemistry dictates the atomic arrangement of the re-oxidized phase. Finally, it was shown that the nanoscaling and structural rearrangement induced by the conversion reaction allow the in situ formation of new electrode materials with enhanced electrochemical properties. 相似文献
2.
Olaf Hansen 《Mathematical Methods in the Applied Sciences》2002,25(12):1075-1090
In this article we study the radiosity operator along an edge between two adjacent half‐planes. First we show that the radiosity operator is invertible in a whole scale of anisotropic Sobolev spaces. In the absence of any shadows we are able to derive regularity properties of the solution, which depend only on the angle between the half‐planes, the reflectivity coefficients and the right‐hand side. This work can be considered as a supplement to the article of Rathsfeld (Mathematical Methods in the Applied Sciences 1999; 22 : 217–241). Copyright © 2002 John Wiley & Sons, Ltd. 相似文献
3.
A time discrete scheme is used to approximate the solution toa phase field system of PenroseFife type with a non-conservedorder parameter. An a posteriori error estimate is presentedthat allows the estimation of the difference between continuousand semidiscrete solutions by quantities that can be calculatedfrom the approximation and given data. 相似文献
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Christoph Elschenbroich Jrn Plackmeyer Klaus Harms Olaf Burghaus Jürgen Pebler 《无机化学与普通化学杂志》2006,632(5):819-827
Trovacene Chemistry. 13 [1] On Being Lead and Mislead in the Synthesis of Di([5]trovacenyl)ketone Di([5]trovacenyl)ketone ( 3¨ ) has been prepared from lithio‐[5]trovacene and dimethylcarbamoyl chloride and studied by X‐ray diffraction, cyclic voltammetry, magnetic susceptometry and EPR spectroscopy. Slight variation of the synthetic protocol affords an unusual trinuclear complex 5 ? that is also fully characterized. Spin‐spin exchange interaction is smaller in 3¨ than in 1,1‐di([5]trovacenylethene ( 2¨ ), which differs from 3¨ by a replacement of O for CH2. The novel trinuclear complex 5 ? , however, displays exchange coupling very similar to that observed in 1‐methoxy‐2,5,6‐tri([5]trovacenyl)benzene ( 7 ? ). In both cases, an unsymmetrical triangular arrangement of S = 1/2 centers is encountered. These findings are discussed in terms of the nature of the respective spacers. 相似文献
7.
E. García-Matres N. Stüßer M. Hofmann M. Reehuis 《The European Physical Journal B - Condensed Matter and Complex Systems》2003,32(1):35-42
The magnetic structures of Mn1-xFexWO4 with x
= 0.0, 0.16, 0.21, 0.225, 0.232, 0.24, 0.27, 0.29, and 1.0 were refined from neutron powder diffraction data. The magnetic phase
diagram could be completed in the coexistence range of different magnetic structures up to x
= 0.29. For the magnetic state at 1.5 K a commensurate antiferromagnetic structure with a propagation vector
= (±1/4, 1/2, 1/2) was found for x
⩽ 0.22 while the magnetic spins order with
= (1/2, 0, 0) for x
≥ 0.22. In the latter phase, additionally, weak magnetic reflections indexed to an incommensurate ordering with
= (- 0.214, 1/2, 0.457) occur in the diffraction pattern up to x
= 0.29 indicating the occurence of a reentrant phase. For 0.12 ⩽
x
⩽ 0.29 the low temperature phases are separated from a magnetic high temperature phase showing only magnetic reflections indexed
to a spin arrangement with
= (1/2, 0, 0). The magnetic phase diagram is discussed qualitatively considering random superexchange between the statistically distributed
Mn2+- and Fe2+-ions in the coexistence range 0.12 ⩽
x
⩽ 0.29 of different magnetic structures related to those of pure MnWO4 and FeWO4.
Received 9 October 2002 Published online 14 March 2003 相似文献
8.
Olaf Steinbach 《Numerische Mathematik》2002,90(4):775-786
Summary. In this paper we investigate a stability estimate needed in hybrid finite and boundary element methods, especially in hybrid
coupled domain decomposition methods including mortar finite elements. This stability estimate is equivalent to the stability
of a generalized projection in certain Sobolev spaces. Using piecewise linear trial spaces and appropriate piecewise constant test spaces,
the stability of the generalized projection is proved assuming some mesh conditions locally.
Received April 11, 2000 / Revised version received February 15, 2001 / Published online July 25, 2001 相似文献
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Summary A non-destructive method is described for the determination of major and minor constituents in archeological specimens by energy-dispersive X-ray fluorescence. Homogeneity tests are made by measuring at various sites of the specimen. In the same way, mean values are obtained for inhomogeneous specimen without taking samples. For calibration, powder standards are used. In case of the determination of elements with numbers up to 14 (Si) a vacuum chamber is used and the dimensions of the specimens are limited by the dimensions of that vacuum chamber, whereas for the determination of elements from K up to U specimens of any size, form or weight are suitable.
Zerstörungsfreie Analyse von archäologischen Proben mit Hilfe der Energie-dispersiven Röntgenfluorescenzanalyse
Zusammenfassung Eine zerstörungsfreie Methode für die Bestimmung von Haupt- und Nebenbestandteilen in archäologischen Proben mit Hilfe der Energie-dispersiven Röntgenfluorescenzanalyse wird beschrieben. Für Homogenitätstests wird an mehreren Stellen der Probe gemessen. In der gleichen Weise werden für inhomogene Proben Mittelwerte erhalten ohne Probenahme. Für die Eichung werden Pulverstandards verwendet. Im Falle der Bestimmung von Elementen mit Ordnungszahlen bis 14 (Si) wird eine Vakuumkammer eingesetzt, und die Dimensionen der Proben sind durch die Dimensionen dieser Vakuumkammer begrenzt, während für die Bestimmung der Elemente K bis U Proben jeder Größe, jeder Form oder jeden Gewichts verwendbar sind.相似文献