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Trapping polysulfide on two-dimensional molybdenum disulfide for Li-S batteries through phase selection with optimized binding
Ist Teil von
Beilstein journal of nanotechnology, 2019, Vol.10 (1), p.774-780
Ort / Verlag
Germany: Beilstein-Institut zur Föerderung der Chemischen Wissenschaften
Erscheinungsjahr
2019
Quelle
EZB Electronic Journals Library
Beschreibungen/Notizen
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-MoS
and 1T'-MoS
monolayers for Li-S batteries were investigated by using density functional theory calculations. It was found that the binding energies of Li
S
absorbed on 1T'-MoS
monolayer are in the range of 0.31-2.94 eV, which is much higher than on the 2H-phase. The 1T'-MoS
monolayer shows stronger trapping ability for Li
S
than the 2H-MoS
monolayer. The 1T'-MoS
monolayer can be used as effective anchoring material in cathodes for Li-S batteries.