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

Beilstein Journal of Nanotechnology

Sha Dong¹  Zhiguo Wang¹  Xiaoli Sun¹ 

[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;

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

DOI  :  10.3762/bjnano.10.77

来源: DOAJ

【 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 Li2Sx 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 Li2Sx 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】

Unknown