1. Properties of S-Functionalized Nitrogen-Based MXene (Ti 2 NS 2) as a Hosting Material for Lithium-Sulfur Batteries.
- Author
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Yao, Chenghao, Li, Wei, Duan, Kang, Zhu, Chen, Li, Jinze, Ren, Qingyin, and Bai, Gang
- Subjects
LITHIUM sulfur batteries ,PROBLEM solving ,ENERGY density ,CATHODES ,SULFUR - Abstract
Lithium-sulfur (Li-S) batteries have received extensive attention due to their high theoretical specific capacity and theoretical energy density. However, their commercialization is hindered by the shuttle effect caused by the dissolution of lithium polysulfide. To solve this problem, a method is proposed to improve the performance of Li-S batteries using Ti
2 N(Ti2 NS2 ) with S-functional groups as the sulfur cathode host material. The calculation results show that due to the mutual attraction between Li and S atoms, Ti2 NS2 has the moderate adsorption energies for Li2 Sx species, which is more advantageous than Ti2 NO2 and can effectively inhibit the shuttle effect. Therefore, Ti2 NS2 is a potential cathode host material, which is helpful to improve the performance of Li-S batteries. This work provides a reference for the design of high-performance sulfur cathode materials. [ABSTRACT FROM AUTHOR]- Published
- 2021
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