4.8 Article

Role of Oxygen Holes in LixCoO2 Revealed by Soft X-Ray Spectroscopy

Journal

PHYSICAL REVIEW LETTERS
Volume 111, Issue 5, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.111.056404

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Funding

  1. Japan Society for the Promotion of Science (JSPS)
  2. Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program)
  3. Toray Science Foundation
  4. NSERC
  5. CIFAR
  6. CFI
  7. CRC

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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.

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