A Mo<sub>5</sub>N<sub>6</sub> electrocatalyst for efficient Na<sub>2</sub>S electrodeposition in room-temperature sodium-sulfur batteries.

Ye, Chao; Jin, Huanyu; Shan, Jieqiong; Jiao, Yan; Li, Huan; Gu, Qinfen; Davey, Kenneth; Wang, Haihui et al. · Nat Commun · 2021

basic_science · Level V

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Abstract

Metal sulfides electrodeposition in sulfur cathodes mitigates the shuttle effect of polysulfides to achieve high Coulombic efficiency in secondary metal-sulfur batteries. However, fundamental understanding of metal sulfides electrodeposition and kinetics mechanism remains limited. Here using room-temperature sodium-sulfur cells as a model system, we report a Mo<sub>5</sub>N<sub>6</sub> cathode material that enables efficient Na<sub>2</sub>S electrodeposition to achieve an initial discharge capacity of 512 mAh g<sup>-1</sup> at a specific current of 1 675 mA g<sup>-1</sup>, and a final discharge capacity of 186 mAh g<sup>-1</sup> after 10,000 cycles. Combined analyses from synchrotron-based spectroscopic characterizations, electrochemical kinetics measurements and density functional theory computations confirm that the high d-band position results in a low Na<sub>2</sub>S<sub>2</sub> dissociation free energy for Mo<sub>5</sub>N<sub>6</sub>. This promotes Na<sub>2</sub>S electrodeposition, and thereby favours long-term cell cycling performance.