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

doi:10.1149/05026.0047ecst

Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi_1/3Co_1/3Mn_1/3O₂

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

基幹理工学部

研究成果: Conference contribution

1 被引用数 (Scopus)

抄録

We report a result of combined in-situ x-ray absorption spectroscopy (XAS) and first-principles calculation study on LiNi_1/3Co _1/3Mn_1/3O₂ 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 LixNi_1/3Co_1/3Mn_1/3O₂ 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
版	26
ISBN（印刷版）	9781623320454
DOI	https://doi.org/10.1149/05026.0047ecst
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 7 → 2012 10月 12

出版物シリーズ

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

Conference

Conference	Symposia on Lithium-Ion Batteries and Non-Aqueous Electrolytes for Lithium Batteries - 222nd ECS Meeting/PRiME 2012
国/地域	United States
City	Honolulu, HI
Period	12/10/7 → 12/10/12

ASJC Scopus subject areas

工学（全般）

文献へのアクセス

10.1149/05026.0047ecst

他のファイルとリンク

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 LiNi_1/3Co_1/3Mn_1/3O₂」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

Mogi, M., Kubobuchi, K., Matsumoto, M., Nishijima, M., Imai, H., Yamamoto, T., Matsumoto, T., & Nitta, Y. (2013). Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi_1/3Co_1/3Mn_1/3O₂. In Lithium-Ion Batteries -and- Non-Aqueous Electrolytes for Lithium Batteries - PRiME 2012 (26 ed., pp. 47-58). (ECS Transactions; Vol. 50, No. 26). Electrochemical Society Inc.. https://doi.org/10.1149/05026.0047ecst

Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi_1/3Co_1/3Mn_1/3O₂. / Mogi, M.; Kubobuchi, K.; Matsumoto, M. その他.
Lithium-Ion Batteries -and- Non-Aqueous Electrolytes for Lithium Batteries - PRiME 2012. 26. ed. Electrochemical Society Inc., 2013. p. 47-58 (ECS Transactions; Vol. 50, No. 26).

研究成果: Conference contribution

Mogi, M, Kubobuchi, K, Matsumoto, M, Nishijima, M, Imai, H, Yamamoto, T, Matsumoto, T & Nitta, Y 2013, Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi_1/3Co_1/3Mn_1/3O₂. in Lithium-Ion Batteries -and- Non-Aqueous Electrolytes for Lithium Batteries - PRiME 2012. 26 edn, ECS Transactions, no. 26, vol. 50, Electrochemical Society Inc., pp. 47-58, Symposia on Lithium-Ion Batteries and Non-Aqueous Electrolytes for Lithium Batteries - 222nd ECS Meeting/PRiME 2012, Honolulu, HI, United States, 12/10/7. https://doi.org/10.1149/05026.0047ecst

Mogi M, Kubobuchi K, Matsumoto M, Nishijima M, Imai H, Yamamoto T その他. Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi_1/3Co_1/3Mn_1/3O₂. In Lithium-Ion Batteries -and- Non-Aqueous Electrolytes for Lithium Batteries - PRiME 2012. 26 ed. Electrochemical Society Inc. 2013. p. 47-58. (ECS Transactions; 26). doi: 10.1149/05026.0047ecst

Mogi, M. ; Kubobuchi, K. ; Matsumoto, M. その他. / Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi_1/3Co_1/3Mn_1/3O₂. Lithium-Ion Batteries -and- Non-Aqueous Electrolytes for Lithium Batteries - PRiME 2012. 26. ed. Electrochemical Society Inc., 2013. pp. 47-58 (ECS Transactions; 26).

@inproceedings{636909106c15405f8f83deac40d8bb79,

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

abstract = "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.",

author = "M. Mogi and K. Kubobuchi and M. Matsumoto and M. Nishijima and H. Imai and T. Yamamoto and T. Matsumoto and Y. Nitta",

year = "2013",

doi = "10.1149/05026.0047ecst",

language = "English",

isbn = "9781623320454",

series = "ECS Transactions",

publisher = "Electrochemical Society Inc.",

number = "26",

pages = "47--58",

booktitle = "Lithium-Ion Batteries -and- Non-Aqueous Electrolytes for Lithium Batteries - PRiME 2012",

edition = "26",

note = "Symposia on Lithium-Ion Batteries and Non-Aqueous Electrolytes for Lithium Batteries - 222nd ECS Meeting/PRiME 2012 ; Conference date: 07-10-2012 Through 12-10-2012",

}

TY - GEN

T1 - Combined in-situ x-ray absorption spectroscopy and first-principles calculation studies on local structural and electronic structural alternations of LiNi1/3Co1/3Mn1/3O2

AU - Mogi, M.

AU - Kubobuchi, K.

AU - Matsumoto, M.

AU - Nishijima, M.

AU - Imai, H.

AU - Yamamoto, T.

AU - Matsumoto, T.

AU - Nitta, Y.

PY - 2013

Y1 - 2013

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84885696081&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84885696081&partnerID=8YFLogxK

U2 - 10.1149/05026.0047ecst

DO - 10.1149/05026.0047ecst

M3 - Conference contribution

AN - SCOPUS:84885696081

SN - 9781623320454

T3 - ECS Transactions

SP - 47

EP - 58

BT - Lithium-Ion Batteries -and- Non-Aqueous Electrolytes for Lithium Batteries - PRiME 2012

PB - Electrochemical Society Inc.

T2 - Symposia on Lithium-Ion Batteries and Non-Aqueous Electrolytes for Lithium Batteries - 222nd ECS Meeting/PRiME 2012

Y2 - 7 October 2012 through 12 October 2012

ER -