Constructing Janus SnSSe and graphene heterostructures as promising anode materials for Li-ion batteries
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- Constructing Janus SnSSe and graphene heterostructures as promising anode materials for Li-ion batteries
- 发表刊物：
- INTERNATIONAL JOURNAL OF ENERGY RESEARCH
- 摘要：
- Developing efficient anode materials for Li-ion batteries is becoming increasingly important but is still challenging to collect relevant information about their adsorption and diffusion. Herein, by means of density functional theory (DFT) computations, the Janus SnSSe, and graphene van der Waals heterostructures (ie, SSnSe/G and SeSnS/G) are systematically investigated by first principles calculations, aiming at constructing promising anode materials for Li-ion batteries (LIBs). The results have demonstrated that the SnSSe/G heterostructures exhibits a semimetal-to-metal transition after incorporating Li, indicating enhanced conductivity compared to monolayer Janus SnSSe or graphene. Moreover, the SnSSe/G heterostructures can maintain favorable structural stability and ultrahigh stiffness well after applying the strain or adsorption of lithium atoms, thereby ensuring the pulverization resistance. In addition, the energy barriers of Li atoms diffusion are very low, which are expected to achieve a fast charge/discharge rate. Meanwhile, the estimated storage capacity of Li on SnSSe/G heterostructures could achieve 472.66 mA h g(-1), which greatly improves the storage capacity. These interesting results show that Janus SnSSe/G heterostructures could be used as excellent anode materials for LIBs.
- 合写作者：
- Zhang, WX， Zhang, JH， He, C， Li, TT
- 卷号：
- DOI10.1002/er.6519
- 页面范围：
- DOI10.1002/er.6519
- 是否译文：
- 否
- 发表时间：
- 2022-01-01