Resonant photoemission spectroscopy of the cathode material Li xFePO 4 for lithium ion battery

Shodai Kurosumi, Naoka Nagamura, Satoshi Toyoda, Koji Horiba, Hiroshi Kumigashira, Masaharu Oshima, Sho Furutsuki, Shin Ichi Nishimura, Atsuo Yamada, Noritaka Mizuno

研究成果: Article査読

11 被引用数 (Scopus)

抄録

The change of Fe 3d states accompanied with the Li intercalation/ deintercalation process has been successfully revealed by resonant photoemission spectroscopy. The main peak shift and expansion of Fe 3d bands through the Li deintercalation reflect the strong hybridization between Fe 3d states and O 2p states as the Fe-O bond lengths decrease. From the antiresonance spectra, O 2p partial density of states also changes, suggesting the interaction between Fe and O atoms still remains in LiFePO 4. Furthermore, density functional theory calculations results strongly support these experimental results. The framework structure of LiFePO 4 is more suitable than that of LiCoO 2 for the good rechargeable battery, because the change of the electronic structure in LiFePO 4 valence band is rather small because of the strong covalent P-O bond.

本文言語English
ページ(範囲)25519-25522
ページ数4
ジャーナルJournal of Physical Chemistry C
115
51
DOI
出版ステータスPublished - 2011 12 29

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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