Role of oxygen holes in LixCoO2 revealed by soft X-ray spectroscopy

T. Mizokawa; Y. Wakisaka; T. Sudayama; C. Iwai; K. Miyoshi; J. Takeuchi; H. Wadati; D. G. Hawthorn; T. Z. Regier; G. A. Sawatzky

doi:10.1103/PhysRevLett.111.056404

Role of oxygen holes in Li_xCoO₂ revealed by soft X-ray spectroscopy

T. Mizokawa^*, Y. Wakisaka, T. Sudayama, C. Iwai, K. Miyoshi, J. Takeuchi, H. Wadati, D. G. Hawthorn, T. Z. Regier, G. A. Sawatzky

^*Corresponding author for this work

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

124 Citations (Scopus)

Abstract

The fundamental electronic structure of the widely used battery material Li_xCoO₂ still remains a mystery. Soft x-ray absorption spectroscopy of Li_xCoO₂ reveals that holes with strong O 2p character play an essential role in the electronic conductivity of the Co3⁺/Co4⁺ mixed valence CoO₂ layer. The oxygen holes are bound to the Co4⁺ sites and the Li-ion vacancy, suggesting that the Li-ion flow can be stabilized by oxygen hole back flow. Such an oxygen hole state of Li_xCoO₂ is unique among the various oxide-based battery materials and is one of the key ingredients to improving their electronic and Li-ion conductivities.

Original language	English
Article number	056404
Journal	Physical Review Letters
Volume	111
Issue number	5
DOIs	https://doi.org/10.1103/PhysRevLett.111.056404
Publication status	Published - 2013 Aug 2
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)

Access to Document

10.1103/PhysRevLett.111.056404

Cite this

@article{0d7dbfe12deb4aa5a2837410e136e1a1,

title = "Role of oxygen holes in LixCoO2 revealed by soft X-ray spectroscopy",

abstract = "The fundamental electronic structure of the widely used battery material LixCoO2 still remains a mystery. Soft x-ray absorption spectroscopy of LixCoO2 reveals that holes with strong O 2p character play an essential role in the electronic conductivity of the Co3+/Co4+ mixed valence CoO2 layer. The oxygen holes are bound to the Co4+ sites and the Li-ion vacancy, suggesting that the Li-ion flow can be stabilized by oxygen hole back flow. Such an oxygen hole state of LixCoO2 is unique among the various oxide-based battery materials and is one of the key ingredients to improving their electronic and Li-ion conductivities.",

author = "T. Mizokawa and Y. Wakisaka and T. Sudayama and C. Iwai and K. Miyoshi and J. Takeuchi and H. Wadati and Hawthorn, {D. G.} and Regier, {T. Z.} and Sawatzky, {G. A.}",

year = "2013",

month = aug,

day = "2",

doi = "10.1103/PhysRevLett.111.056404",

language = "English",

volume = "111",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "5",

}

TY - JOUR

T1 - Role of oxygen holes in LixCoO2 revealed by soft X-ray spectroscopy

AU - Mizokawa, T.

AU - Wakisaka, Y.

AU - Sudayama, T.

AU - Iwai, C.

AU - Miyoshi, K.

AU - Takeuchi, J.

AU - Wadati, H.

AU - Hawthorn, D. G.

AU - Regier, T. Z.

AU - Sawatzky, G. A.

PY - 2013/8/2

Y1 - 2013/8/2

N2 - The fundamental electronic structure of the widely used battery material LixCoO2 still remains a mystery. Soft x-ray absorption spectroscopy of LixCoO2 reveals that holes with strong O 2p character play an essential role in the electronic conductivity of the Co3+/Co4+ mixed valence CoO2 layer. The oxygen holes are bound to the Co4+ sites and the Li-ion vacancy, suggesting that the Li-ion flow can be stabilized by oxygen hole back flow. Such an oxygen hole state of LixCoO2 is unique among the various oxide-based battery materials and is one of the key ingredients to improving their electronic and Li-ion conductivities.

AB - The fundamental electronic structure of the widely used battery material LixCoO2 still remains a mystery. Soft x-ray absorption spectroscopy of LixCoO2 reveals that holes with strong O 2p character play an essential role in the electronic conductivity of the Co3+/Co4+ mixed valence CoO2 layer. The oxygen holes are bound to the Co4+ sites and the Li-ion vacancy, suggesting that the Li-ion flow can be stabilized by oxygen hole back flow. Such an oxygen hole state of LixCoO2 is unique among the various oxide-based battery materials and is one of the key ingredients to improving their electronic and Li-ion conductivities.

UR - http://www.scopus.com/inward/record.url?scp=84881533516&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84881533516&partnerID=8YFLogxK

U2 - 10.1103/PhysRevLett.111.056404

DO - 10.1103/PhysRevLett.111.056404

M3 - Article

AN - SCOPUS:84881533516

SN - 0031-9007

VL - 111

JO - Physical Review Letters

JF - Physical Review Letters

IS - 5

M1 - 056404

ER -

Role of oxygen holes in Li_xCoO₂ revealed by soft X-ray spectroscopy

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this