Li2.0Ni0.67N, a Promising Negative Electrode Material for Li-Ion Batteries with a Soft Structural Response

Thomas Cavoué, Nicolas Emery, Nurzhan Umirov, S. Bach, Pascal Berger, Zhumabay Bakenov, Céline Cénac-Morthe, Jean‐Pierre Pereira‐Ramos

2017

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DOI 10.1021/acs.inorgchem.7b01903

Data confidence 70 medium

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Abstract

The layered lithium nitridonickelate Li 2.0(1) Ni 0.67(2) N has been investigated as a negative electrode in the 0.02–1.25 V vs Li + /Li potential window. Its structural and electrochemical properties are reported. Operando XRD experiments upon three successive cycles clearly demonstrate a single-phase behavior in line with the discharge–charge profiles. The reversible breathing of the hexagonal structure, implying a supercell, is fully explained. The Ni 2+ /Ni + redox couple is involved, and the electron transfer is combined with the reversible accommodation of Li + ions in the cationic vacancies. The structural response is fully reversible and minimal, with a maximum volume variation of 2%. As a consequence, a high capacity of 200 mAh g –1 at C/10 is obtained with an excellent capacity retention, close to 100% even after 100 cycles, which makes Li 2.0(1) Ni 0.67(2) N a promising negative electrode material for Li-ion batteries.