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

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2021

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Ye, C.
Jin, H.
Shan, J.
Jiao, Y.
Li, H.
Gu, Q.
Davey, K.
Wang, H.
Qiao, S.-Z.

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Nature Communications, 2021; 12(1):7195-1-7195-11

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Chao Ye, Huanyu Jin, Jieqiong Shan, Yan Jiao, Huan Li, Qinfen Gu, Kenneth Davey, Haihui Wang, Shi-Zhang Qiao

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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 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.

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© The Author(s) 2021. Open Access. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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