Feasible transformation of MgCo 2 O 4 from spinel to defect rocksalt structure under electron irradiation

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8 Citations (Scopus)


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 languageEnglish
Pages (from-to)26-30
Number of pages5
JournalScripta Materialia
Publication statusPublished - 2019 Jul 1


  • Diffusion
  • Entropy
  • Irradiation effect
  • Nudged elastic band (NEB) method

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys


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