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In Situ NMR Insights into the Electrochemical Reaction of Cu 3 P Electrodes in Lithium Batteries

Abstract : This study reports a multinuclei in situ (real-time) NMR spectroscopic characterization of the electrochemical reactions of a negative Cu 3 P electrode toward lithium. Taking advantage of the different nuclear spin characteristics, we have obtained real-time 31 P and 7 Li NMR data for a comprehensive understanding of the electrochemical mechanism during the discharge and charge processes of a lithium battery. The large NMR chemical shift span of 31 P facilitates the observation of the chemical evolutions of different lithiated and delithiated Li x Cu 3−x P phases, whereas the quadrupolar line features in 7 Li enable identification of asymmetric Li sites. These combined NMR data offer an unambiguous identification of four distinct Li x Cu 3−x P phases, Cu 3 P, Li 0.2 Cu 2.8 P, Li 2 CuP, and Li 3 P, and the characterization of their involvement in the electrochemical reactions. The NMR data led us to propose a delithiation process involving the intercalation of metallic Cu 0 atomic aggregates into the Li 2 CuP structure to form a Cu 0
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Submitted on : Tuesday, April 12, 2016 - 3:49:32 PM
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Fabrizia Poli, Alan Wong, Jugeshwar Kshetrimayum, Laure Monconduit, Michel Letellier. In Situ NMR Insights into the Electrochemical Reaction of Cu 3 P Electrodes in Lithium Batteries. Chemistry of Materials, American Chemical Society, 2016, 28 (6), pp.1787-1793. ⟨10.1021/acs.chemmater.5b04802⟩. ⟨cea-01301650⟩



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