Anisotropic Li intercalation in a LixFePO4 nano-particle: A spectral smoothed boundary phase-field model

L. Hong, L. Liang, S. Bhattacharyya, W. Xing, L. Q. Chen

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13 Scopus citations

Abstract

A spectral smoothed boundary phase-field model is implemented to study lithium (Li) intercalation in a LixFePO4 nano-particle immersed in a Li+ rich electrolyte. It takes into account different physical processes on the particle surface, such as heterogeneous nucleation, Li flux and stress-free boundary conditions. We show the nucleation and growth of plate-like Li-rich crystallites along the (010) plane due to the high Li mobility along [001]. Since such plate-like crystallites, which are nucleated from (001) surfaces, align their phase boundaries along the (101) habit planes, a LixFePO4 nano-particle with prominent (010) and (001) surface facets and the longest axis length along [100] is proposed to exhibit great mechanical stability.

Original languageEnglish (US)
Pages (from-to)9537-9543
Number of pages7
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number14
DOIs
StatePublished - Apr 14 2016

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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