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

Research output: Contribution to journalArticle

2 Citations (Scopus)

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 languageEnglish
Pages (from-to)26-30
Number of pages5
JournalScripta Materialia
Volume167
DOIs
Publication statusPublished - 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

Fingerprint Dive into the research topics of 'Feasible transformation of MgCo <sub>2</sub> O <sub>4</sub> from spinel to defect rocksalt structure under electron irradiation'. Together they form a unique fingerprint.

  • Cite this