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Catalytic oxidation of Li 2 S on the surface of metal sulfides for Li−S batteries

Open access
Zhou, Guangmin, Tian, Hongzhen, Jin, Yang, Tao, Xinyong, Liu, Bofei, Zhang, Rufan, Seh, Zhi Wei, Zhuo, Denys, Liu, Yayuan, Sun, Jie, Zhao, Jie, Zu, Chenxi, Wu, David Sichen, Zhang, Qianfan, Cui, Yi·2017·Proceedings of the National Academy of Sciences

Abstract

Significance: A series of metal sulfides were systematically investigated as polar hosts to reveal the key parameters correlated to the energy barriers and polysulfide adsorption capability in Li−S batteries. The investigation demonstrates that the catalyzing oxidation capability of metal sulfides is critical in reducing the energy barrier and contributing to the remarkably improved battery performance. Density functional theory simulation allows us to identify the mechanism for how binding energy and polysulfides trapping dominate the Li 2 S decomposition process and overall battery performance. The understanding can serve as a general guiding principle for the rational design and screening of advanced materials for high-energy Li−S batteries.

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Crossref · 10.1073/pnas.1615837114

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Metadata

Authors
Zhou, G., Tian, H., Jin, Y., Tao, X., Liu, B., Zhang, R., Seh, Z. W., Zhuo, D., Liu, Y., Sun, J., Zhao, J., Zu, C., Wu, D. S., Zhang, Q., & Cui, Y.
Venue
Proceedings of the National Academy of Sciences
Published
2017-01-17
Volume
114
Issue
5
Pages
840-845
ISSN
  • 0027-8424 (ISSN-L)
  • 1091-6490
OpenAlex
W2575735654
Cited by
1,278
References
2
FWCI
54.15
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Catalytic oxidation of Li 2 S on the surface of metal sulfides for Li−S batteries. https://app.cochat.ai/papers/10.1073/pnas.1615837114
The paper
Zhou, G., Tian, H., Jin, Y., Tao, X., Liu, B., Zhang, R., Seh, Z. W., Zhuo, D., Liu, Y., Sun, J., Zhao, J., Zu, C., Wu, D. S., Zhang, Q., & Cui, Y. (2017). Catalytic oxidation of Li 2 S on the surface of metal sulfides for Li−S batteries. Proceedings of the National Academy of Sciences. https://doi.org/10.1073/pnas.1615837114

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.