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Title: Extracting the Redox Orbitals in Li Battery Materials with High-Resolution X-Ray Compton Scattering Spectroscopy
Authors: 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.
Author's alias: 鈴木, 宏輔
折笠, 有基
櫻井, 浩
伊藤, 真義
山本, 健太郎
内本, 喜晴
櫻井, 吉晴
Issue Date: 25-Feb-2015
Publisher: American Physical Society
Journal title: Physical Review Letters
Volume: 114
Issue: 8
Thesis number: 087401
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.
Description: リチウムイオン二次電池の電池電極反応に寄与する電子軌道の解明 -マンガン酸リチウム系正電極材料設計に新たな指針-.京都大学プレスリリース. 2015-02-05.
Rights: © 2015 American Physical Society.
DOI(Published Version): 10.1103/PhysRevLett.114.087401
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