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Electronic Structure of Chemically-Delithiated LiCoO_2 Studied by Electron Energy-Loss Spectrometry

Graetz, J. and Hightower, A. and Ahn, C. C. and Yazami, R. and Rez, P. and Fultz, B. (2002) Electronic Structure of Chemically-Delithiated LiCoO_2 Studied by Electron Energy-Loss Spectrometry. Journal of Physical Chemistry B, 106 (6). pp. 1286-1289. ISSN 1520-6106. doi:10.1021/jp0133283. https://resolver.caltech.edu/CaltechAUTHORS:20170616-134646937

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Abstract

The electronic structure of chemically delithiated Li_(1-x)CoO_2 (x = −0.02, 0.09, 0.12, 0.20, and 0.28) was investigated by electron energy-loss spectrometry (EELS). The O K edge and Co L_(2,3) edge were used to probe the density of unoccupied states around the O and Co ions at different states of lithiation. The O ions accommodate the incoming charge during Li intercalation. The net electron density surrounding the Co ions is less affected. This is in substantial agreement with prior electronic structure calculations of Van der Ven, et al., whose atomic structure data were used in the present calculations of EELS cross-sections. Calculations of the O 2p partial densities of state curves confirm the increase in unoccupied states that accompany Li extraction.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/jp0133283DOIArticle
ORCID:
AuthorORCID
Yazami, R.0000-0002-0085-5012
Fultz, B.0000-0002-6364-8782
Additional Information:© 2002 American Chemical Society. Received 28 August 2001. Published online 12 January 2002. Published in print 1 February 2002. We thank Anton Van der Ven and Gerbrand Ceder for providing the atomic positions used in the VASP code. We are grateful to Enax Inc. (Japan) for providing the LiCoO_2 used in this study and thank Reminex Inc. (Morocco) for the elemental analyses. This work was supported by the Department of Energy through Basic Energy Sciences Grant No. DE-FG03-00ER15035.
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)DE-FG03-00ER15035
Issue or Number:6
DOI:10.1021/jp0133283
Record Number:CaltechAUTHORS:20170616-134646937
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20170616-134646937
Official Citation:Electronic Structure of Chemically-Delithiated LiCoO2 Studied by Electron Energy-Loss Spectrometry J. Graetz, A. Hightower, C. C. Ahn, R. Yazami, P. Rez, and B. Fultz The Journal of Physical Chemistry B 2002 106 (6), 1286-1289 DOI: 10.1021/jp0133283
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78291
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:16 Jun 2017 21:03
Last Modified:15 Nov 2021 17:38

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