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Investigation of the Charge Compensation Mechanism on the Electrochemically Li-Ion Deintercalated Li1-xCo1/3Ni1/3MN1/3O2 Electrode System by Combination of Soft and Hard X-Ray Absorption Spectroscopy
Published
Author(s)
W S. Yoon, Kyung Y. Chung, Xiao-Qing Yang, James McBreen, Mahalingam Balasubramanian, C P. Grey, Daniel A. Fischer
Abstract
In situ hard X-ray absorption spectroscopy (XAS) at metal K-edges and soft XAS at O K-edge and metal L-edges have been carried out during the first charging process for the layered Li1-2Co1/3Ni1/3Mn1/3O2 cathode material. The metal K-edge XANES results show that the major charge compensation at the metal site during Li-ion deintercalation is achieved by the oxidation of Ni2+ ions, while the manganese ions and the cobalt ions remain mostly unchanged in the Mn4+ and Co3+ state. These conclusions are in good agreement with the results of the metal K-edge EXAFS data. Metal L-edge XAS results at different charge states in both the FY and PEY modes show that unlike Mn and Co ions, Ni ions at the surface are oxidized to Ni3+ during charge whereas Ni ions in the bulk are further oxidized to Ni4+ during charge. From the observation of O K-edge XAS results, we can conclude that large portion of the charge compensation during Li-ion deintercalation is achieved in the oxygen site. By comparison to our earlier results on the Li1-xNi0.5Mn0.5O2 system, we attribute the active participation of oxygen in the redox process in Li1-xCo1/3Ni1/3Mn1/3O2, to be related to the presence of Co in this system.
Yoon, W.
, Chung, K.
, Yang, X.
, McBreen, J.
, Balasubramanian, M.
, Grey, C.
and Fischer, D.
(2005),
Investigation of the Charge Compensation Mechanism on the Electrochemically Li-Ion Deintercalated Li<sub>1-x</sub>Co<sub>1/3</sub>Ni<sub>1/</sub>3MN<sub>1/3</sub>O<sub>2</sub> Electrode System by Combination of Soft and Hard X-Ray Absorption Spectroscopy, Journal of the American Chemical Society
(Accessed October 10, 2025)