A Novel Membrane-like 2D A’-MoS<sub>2</sub> as Anode for Lithium- and Sodium-Ion Batteries
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-met...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-11-01
|
| Series: | Membranes |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2077-0375/12/11/1156 |
| Summary: | 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’-MoS<sub>2</sub> structure and its application in LIBs and SIBs. The A’-MoS<sub>2</sub> 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’-MoS<sub>2</sub> equal to ~391 mAg<sup>−1</sup> at maximum filling for both Li and Na atoms. High adsorption energies and small values of diffusion barriers indicate that the A’-MoS<sub>2</sub> is promising in the application of anode material in LIBs and SIBs. |
|---|---|
| ISSN: | 2077-0375 |