Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: Zirconium-doped LiNi0.6Co0.2Mn0.2O2

Florian Schipper, Mudit Dixit, Daniela Kovacheva, Michael Talianker, Ortal Haik, Judith Grinblat, Evan M. Erickson, Chandan Ghanty, Dan T. Major, Boris Markovsky, Doron Aurbach

Research output: Contribution to journalArticlepeer-review

231 Scopus citations

Abstract

Ni-rich layered lithiated transition metal oxides Li[NixCoyMnz]O2 (x + y + z = 1) are the most promising materials for positive electrodes for advanced Li-ion batteries. However, one of the drawbacks of these materials is their low intrinsic stability during prolonged cycling. In this work, we present lattice doping as a strategy to improve the structural stability and voltage fade on prolonged cycling of LiNi0.6Co0.2Mn0.2O2 (NCM-622) doped with zirconium (+4). It was found that LiNi0.56Zr0.04Co0.2Mn0.2O2 is stable upon galvanostatic cycling, in contrast to the undoped material, which undergoes partial structural layered-to-spinel transformation during cycling. The current study provides sub-nanoscale insight into the role of Zr4+ doping on such a transformation in Ni-rich Li[NixCoyMnz]O2 materials by adopting a combined experimental and first-principles theory approach. A possible mechanism for a Ni-mediated layered-to-spinel transformation in Ni-rich NCMs is also proposed.

Original languageEnglish
Pages (from-to)16073-16084
Number of pages12
JournalJournal of Materials Chemistry A
Volume4
Issue number41
DOIs
StatePublished - 1 Jan 2016

ASJC Scopus subject areas

  • Chemistry (all)
  • Renewable Energy, Sustainability and the Environment
  • Materials Science (all)

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