Lithium insertion mechanism in CoSb3 ...
Type de document :
Compte-rendu et recension critique d'ouvrage
DOI :
Titre :
Lithium insertion mechanism in CoSb3 analysed by 121Sb Mössbauer spectrometry, X-ray: Absorption Spectroscopy and electronic structure calculations
Auteur(s) :
Devos, Isabelle [Auteur]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Womes, Manfred [Auteur]
Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier [ICGM ICMMM]
Heilemann, Mike [Auteur]
Goethe University Frankfurt
Olivier-Fourcade, Josette [Auteur]
Laboratoire des Agrégats Moléculaires et Matériaux Inorganiques [LAMMI]
Jumas, Jean-Claude [Auteur]
Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier [ICGM ICMMM]
Tirado, José Luis [Auteur]
Universidad de Córdoba = University of Córdoba [Córdoba]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Womes, Manfred [Auteur]
Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier [ICGM ICMMM]
Heilemann, Mike [Auteur]
Goethe University Frankfurt
Olivier-Fourcade, Josette [Auteur]
Laboratoire des Agrégats Moléculaires et Matériaux Inorganiques [LAMMI]
Jumas, Jean-Claude [Auteur]
Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier [ICGM ICMMM]
Tirado, José Luis [Auteur]
Universidad de Córdoba = University of Córdoba [Córdoba]
Titre de la revue :
Journal of Materials Chemistry
Pagination :
1759-1767
Éditeur :
Royal Society of Chemistry
Date de publication :
2004
ISSN :
0959-9428
Discipline(s) HAL :
Chimie
Résumé en anglais : [en]
The lithium insertion mechanism into the skutterudite-type CoSb3 compound has been studied using X-ray Absorption Near Edge Structure (XANES), 121Sb Mössbauer spectrometry and electronic structure calculations based on the ...
Lire la suite >The lithium insertion mechanism into the skutterudite-type CoSb3 compound has been studied using X-ray Absorption Near Edge Structure (XANES), 121Sb Mössbauer spectrometry and electronic structure calculations based on the Density Functional Theory (DFT) in the Linear Muffin Tin Orbital (LMTO) framework. 121Sb Mössbauer spectra are in agreement with a progressive restructuring which occurs during the second stage (voltage plateau at 0.6 V). The Mössbauer hyperfine parameters show the formation of Li3Sb and of a ternary intermediate phase LixCoSby whose variable composition depends on the insertion conditions. XANES spectra at Sb LI, III and Co K edges have been compared to calculated Projected Densities of States (PDOS) of reference compounds containing Co, Sb and Li. This analysis has allowed specification of the restructuring mechanism as a distortion of the CoSb6 octahedral units and confirms the formation of Li3Sb. The overall characterisations have been interpreted to suggest the first discharge mechanism of restructuring in accordance with the global reaction:CoSb3 + (y + z) Li → (LixCo1−mSby + m Co + Li3Sb) ↔ LizCo + y Li3SbLire moins >
Lire la suite >The lithium insertion mechanism into the skutterudite-type CoSb3 compound has been studied using X-ray Absorption Near Edge Structure (XANES), 121Sb Mössbauer spectrometry and electronic structure calculations based on the Density Functional Theory (DFT) in the Linear Muffin Tin Orbital (LMTO) framework. 121Sb Mössbauer spectra are in agreement with a progressive restructuring which occurs during the second stage (voltage plateau at 0.6 V). The Mössbauer hyperfine parameters show the formation of Li3Sb and of a ternary intermediate phase LixCoSby whose variable composition depends on the insertion conditions. XANES spectra at Sb LI, III and Co K edges have been compared to calculated Projected Densities of States (PDOS) of reference compounds containing Co, Sb and Li. This analysis has allowed specification of the restructuring mechanism as a distortion of the CoSb6 octahedral units and confirms the formation of Li3Sb. The overall characterisations have been interpreted to suggest the first discharge mechanism of restructuring in accordance with the global reaction:CoSb3 + (y + z) Li → (LixCo1−mSby + m Co + Li3Sb) ↔ LizCo + y Li3SbLire moins >
Langue :
Anglais
Vulgarisation :
Non
Source :
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