Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi1/3Co1/3Mn1/3O2

M. Mogi, K. Kubobuchi, M. Matsumoto, M. Nishijima, H. Imai, T. Yamamoto, T. Matsumoto, Y. Nitta

研究成果: Conference contribution

抄録

We report a result of combined in-situ x-ray absorption spectroscopy (XAS) and first-principles calculation study on LiNi1/3Co 1/3Mn1/3O2 cathode material, especially focusing on the roles of individual transition metals and oxygen for the battery reactions. The theoretical X-ray Absorption Near Edge Structure (XANES) spectra simulations of LixNi1/3Co1/3Mn1/3O2 have been well reproduced experimental in situ XANS spectra, and behaviors of XANES spectral shapes are reasonably explained with electronic structure considerations. Results of such analysis revealed that Ni mainly contribute to the battery-redox-reaction, while Co contribute only at high potential regions, and Mn does not contribute to the reaction.

本文言語English
ホスト出版物のタイトルLithium-Ion Batteries -and- Non-Aqueous Electrolytes for Lithium Batteries - PRiME 2012
出版社Electrochemical Society Inc.
ページ47-58
ページ数12
26
ISBN(印刷版)9781623320454
DOI
出版ステータスPublished - 2013
イベントSymposia on Lithium-Ion Batteries and Non-Aqueous Electrolytes for Lithium Batteries - 222nd ECS Meeting/PRiME 2012 - Honolulu, HI, United States
継続期間: 2012 10月 72012 10月 12

出版物シリーズ

名前ECS Transactions
番号26
50
ISSN(印刷版)1938-5862
ISSN(電子版)1938-6737

Conference

ConferenceSymposia on Lithium-Ion Batteries and Non-Aqueous Electrolytes for Lithium Batteries - 222nd ECS Meeting/PRiME 2012
国/地域United States
CityHonolulu, HI
Period12/10/712/10/12

ASJC Scopus subject areas

  • 工学(全般)

フィンガープリント

「Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi1/3Co1/3Mn1/3O2」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル