Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 115, Issue 11, Pages 4922-4926Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp109628m
Keywords
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Funding
- Lawrence Livermore National Laboratory [DE-AC52-07NA27344]
- Lawrence Post-doctoral Fellowship
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
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Li-insertion-induced phase transformation in nanoscale olivine particles is studied by phase-field simulations in this paper. We show that the anisotropic growth morphology observed in experiments is thermodynamically controlled by the elastic energy arising from the misfit strain between the Li-rich and Li-poor olivine phases and kinetically influenced by the Li surface-reaction kinetics. The one-dimensional Li diffusivity inherent to the olivine structure is found to kinetically stabilize the phase boundary morphology after Li insertion termintates and facilitate ex-situ observation. Our calculations suggest that examination of the phase boundary morphology provides an effective approach to determine the limiting process of the Li intercalation kinetics in olivine nanoparticles.
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