Valence evaluation of LiMnO2 and related battery materials by x-ray absorption spectroscopy

H. Wadati; D. G. Hawthorn; T. Z. Regier; G. Chen; T. Hitosugi; T. Mizokawa; A. Tanaka; G. A. Sawatzky

doi:10.1063/1.3463468

Valence evaluation of LiMnO₂ and related battery materials by x-ray absorption spectroscopy

H. Wadati, D. G. Hawthorn, T. Z. Regier, G. Chen, T. Hitosugi, T. Mizokawa, A. Tanaka, G. A. Sawatzky

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

We present an x-ray absorption study of the oxidation states of transition-metal-ions of LiMnO₂ and its related materials, widely used as cathodes in Li-ion batteries. The comparison between the obtained spectrum and the configuration-interaction cluster-model calculations showed that the Mn3+ in LiMnO₂ is a mixture of the high-spin and low-spin states. We found that Li deficiencies occur in the case of Cr substitution, whereas there are no Li deficiencies in the case of Ni substitution. We conclude that the substitution of charge-transfer-type Ni or Cu is effective for LiMnO₂ battery materials.

Original language	English
Article number	022106
Journal	Applied Physics Letters
Volume	97
Issue number	2
DOIs	https://doi.org/10.1063/1.3463468
Publication status	Published - 2010 Jul 12

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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title = "Valence evaluation of LiMnO2 and related battery materials by x-ray absorption spectroscopy",

abstract = "We present an x-ray absorption study of the oxidation states of transition-metal-ions of LiMnO2 and its related materials, widely used as cathodes in Li-ion batteries. The comparison between the obtained spectrum and the configuration-interaction cluster-model calculations showed that the Mn3+ in LiMnO2 is a mixture of the high-spin and low-spin states. We found that Li deficiencies occur in the case of Cr substitution, whereas there are no Li deficiencies in the case of Ni substitution. We conclude that the substitution of charge-transfer-type Ni or Cu is effective for LiMnO2 battery materials.",

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T1 - Valence evaluation of LiMnO2 and related battery materials by x-ray absorption spectroscopy

AU - Wadati, H.

AU - Hawthorn, D. G.

AU - Regier, T. Z.

AU - Chen, G.

AU - Hitosugi, T.

AU - Mizokawa, T.

AU - Tanaka, A.

AU - Sawatzky, G. A.

N1 - Funding Information: This research was made possible with financial support from the Canadian funding organizations NSERC, CFI, and CIFAR.

PY - 2010/7/12

Y1 - 2010/7/12

N2 - We present an x-ray absorption study of the oxidation states of transition-metal-ions of LiMnO2 and its related materials, widely used as cathodes in Li-ion batteries. The comparison between the obtained spectrum and the configuration-interaction cluster-model calculations showed that the Mn3+ in LiMnO2 is a mixture of the high-spin and low-spin states. We found that Li deficiencies occur in the case of Cr substitution, whereas there are no Li deficiencies in the case of Ni substitution. We conclude that the substitution of charge-transfer-type Ni or Cu is effective for LiMnO2 battery materials.

AB - We present an x-ray absorption study of the oxidation states of transition-metal-ions of LiMnO2 and its related materials, widely used as cathodes in Li-ion batteries. The comparison between the obtained spectrum and the configuration-interaction cluster-model calculations showed that the Mn3+ in LiMnO2 is a mixture of the high-spin and low-spin states. We found that Li deficiencies occur in the case of Cr substitution, whereas there are no Li deficiencies in the case of Ni substitution. We conclude that the substitution of charge-transfer-type Ni or Cu is effective for LiMnO2 battery materials.

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Valence evaluation of LiMnO₂ and related battery materials by x-ray absorption spectroscopy

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