2020年12月
Evaluation of oxygen contribution on delithiation process of Li-rich layered 3d transition metal oxides
Materials Today Communications
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- 巻
- 25
- 号
- 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
- ID情報
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- DOI : 10.1016/j.mtcomm.2020.101673
- ISSN : 2352-4928
- eISSN : 2352-4928
- ORCIDのPut Code : 83291278
- SCOPUS ID : 85091750269