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P-redox mechanism at the origin of the high lithium storage in NiP2-based batteries

Abstract : The Li reactivity of NiP2 is investigated by means of electrochemical tests, in situ XRD, and 31P NMR characterizations as well as first principles DFT calculations. A two-step insertion/conversion reaction is shown to transform the NiP2 starting electrode into an intermediate Li2NiP2 single phase and then to convert into the Li3P/Ni° nanocomposite. The ternary phase is fully characterized and is shown to be structurally very close to the starting NiP2 regarding the Ni ions environment. This demonstrates that its formation results from a P-redox insertion mechanism associated with a very good reversibility. However, its nucleation upon delithiation from the fully converted Li3P/Ni composite is shown to be kinetically limited (poor structural relationship) which strongly suggests that restricted lithiation is required for best cycleability of the NiP2/Li cell.
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https://hal.archives-ouvertes.fr/hal-00355776
Contributor : Stéphane Toulin <>
Submitted on : Friday, January 23, 2009 - 7:06:47 PM
Last modification on : Tuesday, June 8, 2021 - 9:32:03 AM

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Simeon Boyanov, J. Bernardi, Emilie Bekaert, Michel Ménétrier, Marie-Liesse Doublet, et al.. P-redox mechanism at the origin of the high lithium storage in NiP2-based batteries. Chemistry of Materials, American Chemical Society, 2009, 21 (2), pp.298-308. ⟨10.1021/cm802393z⟩. ⟨hal-00355776⟩

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