A2VO(SO4)2 (A = Li, Na) as Electrodes for Li-Ion and Na-Ion Batteries

Meiling Sun (1, 2) , Gwenaelle Rousse (3, 1, 2) , Matthieu Saubanère (4, 1) , Marie-Liesse Doublet (4, 1) , Daniel Alves Dalla Corte (2, 1) , Jean‐marie Tarascon (1, 2)

1 RS2E - Réseau sur le stockage électrochimique de l'énergie
2 Collège de France - Chaire Chimie du solide et énergie
3 IMPMC - Institut de minéralogie, de physique des matériaux et de cosmochimie
4 ICGM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier

We herein report the synthesis, crystal structure, and electrochemical performances of a new Li-based vanadium oxysulfate phase, Li2VO(SO4)2, whose structure is built on vanadyl-containing VO5 square-based pyramids and SO4 groups linked by vertices to form layers. Li2VO(SO4)2 presents a redox activity at 4.7 V vs Li+/Li0 with a reversible capacity of 50 mA·h/g, while the chemically similar but structurally different Na2VO(SO4)2 delivers a capacity of 60 mA h/g at 4.5 V vs Na+/Na0. Density functional theory calculations are also performed to rationalize our findings in terms of redox activity and phase stability.

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Meiling Sun, Gwenaelle Rousse, Matthieu Saubanère, Marie-Liesse Doublet, Daniel Alves Dalla Corte, et al.. A2VO(SO4)2 (A = Li, Na) as Electrodes for Li-Ion and Na-Ion Batteries. Chemistry of Materials, 2016, 28 (18), pp.6637-6643. ⟨10.1021/acs.chemmater.6b02759⟩. ⟨hal-01471898⟩