2D-Mo3S4 phase as promising contact for MoS2

Sukhanova, Ekaterina V.; Kvashnin, Alexander G.; Bereznikova, L. A.; Zakaryan, Hayk A.; Aghamalyan, M. A.; Kvashnin, Dmitry G.; Попов, Захар И.

doi:10.1016/j.apsusc.2022.152971

Cited by 6 publications

(1 citation statement)

References 85 publications

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“…In addition, there is an alternative approach which is the search for new phases of TMDs having less density than H-MoS 2 monolayers because bulk TMDs can exist not only in the hexagonal 2H phase but also in trigonal 1T and rhombohedral 3R polymorphs [38]. Moreover, recent investigations showed that transition-metal chalcogenides can form various monolayered structures [39][40][41][42][43][44].…”

Section: Introductionmentioning

confidence: 99%

A Novel Membrane-like 2D A’-MoS2 as Anode for Lithium- and Sodium-Ion Batteries

Sukhanova

Bereznikova

Manakhov³

et al. 2022

Membranes

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Currently, new nanomaterials for high-capacity lithium-ion batteries (LIBs) and sodium- ion batteries (SIBs) are urgently needed. Materials combining porous structure (such as representatives of metal–organic frameworks) and the ability to operate both with lithium and sodium (such as transition-metal dichalcogenides) are of particular interest. Our work reports the computational modelling of a new A’-MoS2 structure and its application in LIBs and SIBs. The A’-MoS2 monolayer was dynamically stable and exhibited semiconducting properties with an indirect band gap of 0.74 eV. A large surface area, together with the presence of pores resulted in a high capacity of the A’-MoS2 equal to ~391 mAg−1 at maximum filling for both Li and Na atoms. High adsorption energies and small values of diffusion barriers indicate that the A’-MoS2 is promising in the application of anode material in LIBs and SIBs.

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