Abstract
Spinel MgCo 2 O 4 oxide, expected as a cathode material candidate for magnesium rechargeable battery, undergoes spinel-to-rocksalt transition accompanied with Mg insertion. Upon scanning-transmission-electron-microscopy observation, cations located at the tetrahedral sites readily migrate to the adjacent octahedral sites due to electron irradiation (without any Mg insertion), so that the spinel structure changes to a defect rocksalt structure with cation disorder. This together with first-principles calculations demonstrates that there is little energetic preference for Mg cation between the tetrahedral and octahedral sites, accounting for the feasibility of the Mg insertion into the spinel MgCo 2 O 4 cathode via intercalation and push-out process of Mg cation.
Original language | English |
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Pages (from-to) | 26-30 |
Number of pages | 5 |
Journal | Scripta Materialia |
Volume | 167 |
DOIs | |
Publication status | Published - 2019 Jul 1 |
Keywords
- Diffusion
- Entropy
- Irradiation effect
- Nudged elastic band (NEB) method
- STEM HAADF
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys