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Unravelling redox processes of Li7MnN4 upon electrochemical Li extraction–insertion using operando XAS

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Abstract

A large data set of XAS (X-ray Absorption Spectroscopy) Manganese K-edge spectra has been collected operando and studied upon the electrochemical oxidation of the promising Li-ion battery anode material Li7MnN4. Using chemometric tools such as PCA (Principal Component Analysis) and MCR-ALS (Multivariate Curve resolution – Alternating Least Squares), three independent environment spectra were insulated. Based on the faradaic yield and well-chosen comparison of absorption spectrum energies within the frame of the coordination charge model, these environments were ascribed to unusual oxidation states allowed by nitride chemistry at a low potential (∼1.2 V vs. Li+/Li), i.e. Mn5+ (3d2), Mn6+ (3d1) and Mn7+ (3d0). Also, their relative amounts are discussed with regard to the long-range structural variation which can be simply described by two successive biphasic domains followed by a solid-solution behaviour. Gathering this long-range and local structure information provides a complete picture of the redox mechanisms occurring in Li7MnN4.

Graphical abstract: Unravelling redox processes of Li7MnN4 upon electrochemical Li extraction–insertion using operando XAS

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Publication details

The article was received on 01 Aug 2017, accepted on 18 Sep 2017 and first published on 18 Sep 2017


Article type: Paper
DOI: 10.1039/C7CP05207C
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Unravelling redox processes of Li7MnN4 upon electrochemical Li extraction–insertion using operando XAS

    D. Muller-Bouvet, N. Emery, N. Tassali, E. Panabière, S. Bach, O. Crosnier, T. Brousse, C. Cénac-Morthe, A. Michalowicz and J. P. Pereira-Ramos, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP05207C

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