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Title: Electronic structure of transition metal ions in deintercalated and reintercalated LiCo{sub 0.5}Ni{sub 0.5}O{sub 2}

Abstract

The authors studied the electronic structure of the transition metal ions in deintercalated and reintercalated LiCo{sub 0.5}Ni{sub 0.5}O{sub 2}. The experimental technique used in the study was Co 2p and Ni 2p X-ray absorption spectroscopy. The shapes of the multiplet in the spectra are directly related to the ground state of the transition metal ions. The experimental results were analyzed using atomic multiplet plus crystal field calculations. The Co ions were in a trivalent Co{sup 3+} low-spin state in LiCo{sub 0.5}Ni{sub 0.5}O{sub 2} and remained mostly unaffected by Li deintercalation down to x = 0.20. The Ni ions were in a divalent Ni{sup 2+} high-spin state in LiCo{sub 0.5}Ni{sub 0.5}O{sub 2} and not in the usually quoted trivalent Ni{sup 3+} state. The Ni ions were partially oxidized to a trivalent Ni{sup 3+} state upon Li deintercalation down to x = 0.50. Further Li deintercalation, down to x = 0.20, did not result in further oxidation of the Ni ions. The changes in the electronic structure of the Ni ions were reversible upon Li reintercalation.

Authors:
; ;
Publication Date:
Research Org.:
Univ. de Sao Paulo, Ribeirao Preto SP (BR)
OSTI Identifier:
20080558
Resource Type:
Journal Article
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 147; Journal Issue: 5; Other Information: PBD: May 2000; Journal ID: ISSN 0013-4651
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 25 ENERGY STORAGE; LITHIUM OXIDES; COBALT OXIDES; NICKEL OXIDES; ELECTRONIC STRUCTURE; CLATHRATES; METAL-NONMETAL BATTERIES; CATHODES

Citation Formats

Montoro, L.A., Abbate, M., and Rosolen, J.M. Electronic structure of transition metal ions in deintercalated and reintercalated LiCo{sub 0.5}Ni{sub 0.5}O{sub 2}. United States: N. p., 2000. Web. doi:10.1149/1.1393412.
Montoro, L.A., Abbate, M., & Rosolen, J.M. Electronic structure of transition metal ions in deintercalated and reintercalated LiCo{sub 0.5}Ni{sub 0.5}O{sub 2}. United States. doi:10.1149/1.1393412.
Montoro, L.A., Abbate, M., and Rosolen, J.M. Mon . "Electronic structure of transition metal ions in deintercalated and reintercalated LiCo{sub 0.5}Ni{sub 0.5}O{sub 2}". United States. doi:10.1149/1.1393412.
@article{osti_20080558,
title = {Electronic structure of transition metal ions in deintercalated and reintercalated LiCo{sub 0.5}Ni{sub 0.5}O{sub 2}},
author = {Montoro, L.A. and Abbate, M. and Rosolen, J.M.},
abstractNote = {The authors studied the electronic structure of the transition metal ions in deintercalated and reintercalated LiCo{sub 0.5}Ni{sub 0.5}O{sub 2}. The experimental technique used in the study was Co 2p and Ni 2p X-ray absorption spectroscopy. The shapes of the multiplet in the spectra are directly related to the ground state of the transition metal ions. The experimental results were analyzed using atomic multiplet plus crystal field calculations. The Co ions were in a trivalent Co{sup 3+} low-spin state in LiCo{sub 0.5}Ni{sub 0.5}O{sub 2} and remained mostly unaffected by Li deintercalation down to x = 0.20. The Ni ions were in a divalent Ni{sup 2+} high-spin state in LiCo{sub 0.5}Ni{sub 0.5}O{sub 2} and not in the usually quoted trivalent Ni{sup 3+} state. The Ni ions were partially oxidized to a trivalent Ni{sup 3+} state upon Li deintercalation down to x = 0.50. Further Li deintercalation, down to x = 0.20, did not result in further oxidation of the Ni ions. The changes in the electronic structure of the Ni ions were reversible upon Li reintercalation.},
doi = {10.1149/1.1393412},
journal = {Journal of the Electrochemical Society},
issn = {0013-4651},
number = 5,
volume = 147,
place = {United States},
year = {2000},
month = {5}
}