Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding

Beilstein Journal of Nanotechnology

Sha Dong^1¹ 

[1] School of Electronics Science and Engineering, Center for Public Security Technology Research, University of Electronic Science and Technology of China, Chengdu, 610054, P.R. China^1

关键词: Li–S batteries;    molybdenum disulfide;    phase transformation;   

DOI  :  10.3762/bjnano.10.77

学科分类：地球科学(综合)

来源: Beilstein - Institut zur Foerderung der Chemischen Wissenschaften

【 摘 要 】

Introducing anchoring materials into cathodes for Li–S batteries has been demonstrated as an effective way to overcome the shuttle effect and enhance the cycling stability. In this work, the anchoring effects of 2H-MoS₂ and 1T'-MoS₂ monolayers for Li–S batteries were investigated by using density functional theory calculations. It was found that the binding energies of Li₂S_x absorbed on 1T'-MoS₂ monolayer are in the range of 0.31–2.94 eV, which is much higher than on the 2H-phase. The 1T'-MoS₂ monolayer shows stronger trapping ability for Li₂S_x than the 2H-MoS₂ monolayer. The 1T'-MoS₂ monolayer can be used as effective anchoring material in cathodes for Li–S batteries.

【 授权许可】

CC BY