Extracting the Redox Orbitals in Li Battery Materials with High-Resolution X-Ray Compton Scattering Spectroscopy

• Suzuki, K.

• Barbiellini, B.

• Orikasa, Y.

• Go, N.

• Sakurai, H.

• Kaprzyk, S.

• Itou, M.

• Yamamoto, K.

• Uchimoto, Y.

• Wang, Yung Jui

• Hafiz, H.

• Bansil, A.

• Sakurai, Y.

Abstract

We present an incisive spectroscopic technique for directly probing redox orbitals based on bulk electron momentum density measurements via high-resolution x-ray Compton scattering. Application of our method to spinel Li{x}Mn{2}O{4}, a lithium ion battery cathode material, is discussed. The orbital involved in the lithium insertion and extraction process is shown to mainly be the oxygen 2p orbital. Moreover, the manganese 3d states are shown to experience spatial delocalization involving 0.16±0.05 electrons per Mn site during the battery operation. Our analysis provides a clear understanding of the fundamental redox process involved in the working of a lithium ion battery.

Journal

• Physical Review Letters

  Physical Review Letters 114 (8), 087401-, 2015-02-25

  American Physical Society (APS)

Keywords

• General Physics and Astronomy

Details

• CRID: 1050564285758582016
• NII Article ID: 120005549955
• NII Book ID: AA00773679
• ISSN: 00319007
• ISSN: 10797114
• DOI: 10.1103/physrevlett.114.087401
• HANDLE: 2433/194170
• Web Site: http://link.aps.org/accepted/10.1103/PhysRevLett.114.087401
• Web Site: http://link.aps.org/article/10.1103/PhysRevLett.114.087401
• Web Site: http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.114.087401/fulltext
• Text Lang: en
• Article Type: journal article
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