Oxygen vacancies and intermediate spin trivalent cobalt ions in lithium-overstoichiometric LiCoO2
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| hal.structure.identifier | UMICORE Research | |
| dc.contributor.author | LEVASSEUR, Stéphane | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MÉNÉTRIER, Michel | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | SHAO-HORN, Yang | |
| hal.structure.identifier | Batteries Materials Division | |
| dc.contributor.author | GAUTIER, Laurent | |
| hal.structure.identifier | UMICORE Research | |
| dc.contributor.author | AUDEMER, Laurent | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | DEMAZEAU, Gérard | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | LARGETEAU, Alain | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | DELMAS, Claude | |
| dc.date.issued | 2003 | |
| dc.identifier.issn | 0897-4756 | |
| dc.description.abstractEn | Thermal treatments under a very wide range of oxygen pressures were used to probe the composition and defect nature of a lithium-overstoichiometric "Lix0CoO2" (x0 > 1) sample using X-ray powder diffraction, 7Li NMR, and electrochemical tests. It was found that at 900 C, under atmospheric and elevated oxygen pressures, the lithium-overstoichiometric sample gradually transformed to stoichiometric LiCoO2 by losing excess lithium in the form of Li2O. In addition, it was shown that the defect associated with Co2+ and oxygen deficiency as reported by Gorshkov et al. and Karelina et al. had a different NMR signature than that present in Li-overstoichiometric samples. Therefore, it is believed that oxygen vacancies are present but Co2+ ions are not present in Lix0CoO2 (x0 > 1). This leads to a formula [Li]interslab[CoIII1-3tCo3+(IS)2tLit]slab[O2-t], involving an intermediate spin configuration for 2t Co3+ ions in a square-based pyramidal site. This new model was supported by the NMR and magnetic data of the lithium-overstoichiometric sample and its deintercalated compounds. The effect of the defect on the end-of-discharge voltage profile during cycling was also discussed. | |
| dc.language.iso | en | |
| dc.publisher | American Chemical Society | |
| dc.subject.en | Overstoichiometry | |
| dc.subject.en | LiCoO2 | |
| dc.subject.en | Cobalt ions | |
| dc.subject.en | Lithium | |
| dc.subject.en | Trivalent spin | |
| dc.subject.en | Oxygen vacancies | |
| dc.title.en | Oxygen vacancies and intermediate spin trivalent cobalt ions in lithium-overstoichiometric LiCoO2 | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1021/cm021279g | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Chemistry of Materials | |
| bordeaux.page | 348-354 | |
| bordeaux.volume | 15 | |
| bordeaux.issue | 1 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00258328 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00258328v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Chemistry%20of%20Materials&rft.date=2003&rft.volume=15&rft.issue=1&rft.spage=348-354&rft.epage=348-354&rft.eissn=0897-4756&rft.issn=0897-4756&rft.au=LEVASSEUR,%20St%C3%A9phane&M%C3%89N%C3%89TRIER,%20Michel&SHAO-HORN,%20Yang&GAUTIER,%20Laurent&AUDEMER,%20Laurent&rft.genre=article |
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