Sulfur immobilization and lithium storage on defective graphene: A first-principles study

Wen Zhao, Pengcheng Chen, Peizhe Tang, Yuanchang Li*, Jian Wu, Wenhui Duan

*此作品的通讯作者

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摘要

Motivated by the recent progresses and remaining technical challenges in Li-S battery, we employ defective graphene as a prototype cathode framework to illustrate how battery performance is influenced by the mesoporous carbon materials. We show that the immobilization of S unavoidably sacrifices its ability to further interact with Li, which leads to an enhanced cycle life but a decreased capacity. Based on our calculated results, we suggest a suitable S binding-energy range of ∼4-5 eV to balance the battery stability and capability under thermodynamic equilibrium conditions. Our results may promote the understanding and architecture design of Li-S battery.

源语言英语
文章编号043901
期刊Applied Physics Letters
104
4
DOI
出版状态已出版 - 27 1月 2014
已对外发布

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Zhao, W., Chen, P., Tang, P., Li, Y., Wu, J., & Duan, W. (2014). Sulfur immobilization and lithium storage on defective graphene: A first-principles study. Applied Physics Letters, 104(4), 文章 043901. https://doi.org/10.1063/1.4862983