A Mo5N6 electrocatalyst for efficient Na2S electrodeposition in room-temperature sodium-sulfur batteries

Chao Ye, Huanyu Jin, Jieqiong Shan, Yan Jiao, Huan Li, Qinfen Gu, Kenneth Davey, Haihui Wang () and Shi-Zhang Qiao ()
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Chao Ye: The University of Adelaide
Huanyu Jin: The University of Adelaide
Jieqiong Shan: The University of Adelaide
Yan Jiao: The University of Adelaide
Huan Li: The University of Adelaide
Qinfen Gu: Australian Synchrotron (ANSTO)
Kenneth Davey: The University of Adelaide
Haihui Wang: Tsinghua University
Shi-Zhang Qiao: The University of Adelaide

Nature Communications, 2021, vol. 12, issue 1, 1-11

Abstract: 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 Mo5N6 cathode material that enables efficient Na2S electrodeposition to achieve an initial discharge capacity of 512 mAh g−1 at a specific current of 1 675 mA g−1, and a final discharge capacity of 186 mAh g−1 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 Na2S2 dissociation free energy for Mo5N6. This promotes Na2S electrodeposition, and thereby favours long-term cell cycling performance.

Date: 2021
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DOI: 10.1038/s41467-021-27551-7

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