Resonant Photoemission Spectroscopy of the Cathode Material LixFePO4 for Lithium Ion Battery

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• 作者：Shodai Kurosumi ; Naoka Nagamura ; Satoshi Toyoda ; Koji Horiba ; Hiroshi Kumigashira ; Masaharu Oshima ; Sho Furutsuki ; Shin-ichi Nishimura ; Atsuo Yamada ; Noritaka Mizuno
• 刊名：Journal of Physical Chemistry C
• 出版年：2011
• 出版时间：December 29, 2011
• 年：2011
• 卷：115
• 期：51
• 页码：25519-25522
• 全文大小：813K
• 年卷期：v.115,no.51(December 29, 2011)
• ISSN：1932-7455

文摘

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鈥揙 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 LiFePO₄. Furthermore, density functional theory calculations results strongly support these experimental results. The framework structure of LiFePO₄ is more suitable than that of LiCoO₂ for the good rechargeable battery, because the change of the electronic structure in LiFePO₄ valence band is rather small because of the strong covalent P鈥揙 bond.