Solving the structure of Li ion battery materials with precession electron diffraction: Application to Li2CoPO4F

Joke Hadermann, Artem M. Abakumov, Stuart Turner, Zainab Hafideddine, Nellie R. Khasanova, Evgeny V. Antipov, Gustaaf Van Tendeloo

Research output: Contribution to journalArticlepeer-review

52 Citations (Scopus)

Abstract

The crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO 4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites.

Original languageEnglish
Pages (from-to)3540-3545
Number of pages6
JournalChemistry of Materials
Volume23
Issue number15
DOIs
Publication statusPublished - 9 Aug 2011
Externally publishedYes

Keywords

  • battery material
  • crystal structure
  • lithium
  • precession electron diffraction

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