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In Situ NMR Insights into the Electrochemical Reaction of Cu3P Electrodes in Lithium Batteries

Poli, Fabrizia and Wong, Alan and Kshetrimayum, Jugeshwar S and Monconduit, Laure and Letellier, Michel (2016) In Situ NMR Insights into the Electrochemical Reaction of Cu3P Electrodes in Lithium Batteries. In: CHEMISTRY OF MATERIALS, 28 (6). pp. 1787-1793.

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Official URL: http://dx.doi.org/10.1021/acs.chemmater.5b04802


This study reports a multinuclei in situ (real-time) NMR spectroscopic characterization of the electrochemical reactions of a negative Cu3P electrode toward lithium. Taking advantage of the different nuclear spin characteristics, we have obtained real-time P-31 and Li-7 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 P-31 facilitates the observation of the chemical evolutions of different lithiated and delithiated LixCu3-xP phases, whereas the quadrupolar line features in Li-7 enable identification of asymmetric Li sites. These combined NMR data offer an unambiguous identification of four distinct LixCu3-xP phases, Cu3P, Li0.2Cu2.8P, Li2CuP, and. Li3P, 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 Li2CuP structure to form a Cu-0-Li2-xCu1-xP phase. This process might be responsible for the poor capacity retention in Cu3P lithium batteries when cycled to a low voltage.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 29 Apr 2016 05:02
Last Modified: 05 Nov 2018 12:22
URI: http://eprints.iisc.ac.in/id/eprint/53719

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