論文

2020年12月

Evaluation of oxygen contribution on delithiation process of Li-rich layered 3d transition metal oxides

Materials Today Communications
  • Masatsugu Oishi
  • ,
  • Keiji Shimoda
  • ,
  • Sojiro Okada
  • ,
  • Ryoshi Imura
  • ,
  • Keisuke Yamanaka
  • ,
  • Hisao Yamashige
  • ,
  • Hitoshi Mizuguchi
  • ,
  • Iwao Watanabe
  • ,
  • Yoshiharu Uchimoto
  • ,
  • Toshiaki Ohta

25
開始ページ
101673
終了ページ
101673
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1016/j.mtcomm.2020.101673
出版者・発行元
Elsevier {BV}

We investigated the oxygen contributions on delithiation process of different types of layered 3d transition metal oxides, Li TiO , Li MnO , and LiCoO , using X-ray spectroscopies with the aid of density functional theory calculations. In delithiatied LiCoO , electrons are extracted from highly hybridized Co 3d and O 2p orbitals without O loss. In Li TiO , the hybridized Ti 3d and O 2p orbitals at the valence band is mainly contributed by O 2p orbitals, and delithiated Li TiO loses oxygen as the electrons are extracted. Li MnO exhibits some hybridization. In delithiated Li MnO , a certain amount of oxygen is lost, but the large amount of oxidized O anions remains as peroxide and superoxide-like states, which would work as the redox active species. Therefore, the degree of hybridization between metal 3d and O 2p orbitals is a key factor to influence the stability of O anion redox during the oxidation process, which determines the electrode performance. 2 3 2 3 2 2 2 2 3 2 3 2 3 2 3

リンク情報
DOI
https://doi.org/10.1016/j.mtcomm.2020.101673
Scopus
https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85091750269&origin=inward
Scopus Citedby
https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85091750269&origin=inward
ID情報
  • DOI : 10.1016/j.mtcomm.2020.101673
  • ISSN : 2352-4928
  • eISSN : 2352-4928
  • ORCIDのPut Code : 83291278
  • SCOPUS ID : 85091750269

エクスポート
BibTeX RIS