Rational design of porous carbon allotropes as anchoring materials for lithium sulfur batteries
发布时间：2025-04-30
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- 发布时间：
- 2025-04-30
- 论文名称：
- Rational design of porous carbon allotropes as anchoring materials for lithium sulfur batteries
- 发表刊物：
- Journal of Energy Chemistry
- 摘要：
- The shuttle effect seriously impedes the development and practical application of lithium sulfur (Li-S)
batteries. It is still a long-term challenge to find effective anchoring materials to hinder the shuttle effect
of Li-S batteries. Using carbon allotrope as anchoring materials is an effective strategy to alleviate the
shuttling effect. However, the influence factors of carbon allotrope on the adsorption performance of
LIPSS at the atomic level are not clear, which limits the application of carbon allotrope in Li-S batteries.
Herein, using first – principles simulations, a systematical calculation of carbon allotropes with various
ring size (6 ? S ? 16) and shape is conducted to understand the adsorption mechanism. The results show
that the T-G monolayers with suitable ring structure and high charge transfer can significantly enhance
the interaction between the monolayer and LiPSs, allowing them to have high capacity and high coulom-
bic efficiency. Further diffusion studies show that LiPSs on the T-G monolayer have the low diffusion bar-
riers, which ensures the charging and discharging rate of batteries. Our studies could provide material
design principles of carbon allotrope monolayers used as anchoring materials of the high performance
Li-S batteries.
- 合写作者：
- T. T. Li, C. He*, W.X.Zhang
- 卷号：
- 52 (2021) 121–129
- 页面范围：
- 52 (2021) 121–129
- 是否译文：
- 否
- 发表时间：
- 2020-06-29