DFT Simulations Investigating the Trapping of Sulfides by 1T-Li<sub>x</sub>MoS<sub>2</sub> and 1T-Li<sub>x</sub>MoS<sub>2</sub>/Graphene Hybrid Cathodes in Li-S Batteries
The aim of this study is to investigate new materials that can be employed as cathode hosts in Li-S batteries, which would be able to overcome the effect of the shuttling of soluble polysulfides and maximize the battery capacity and energy density. Density functional theory (DFT) simulations are use...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-04-01
|
| Series: | Batteries |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2313-0105/10/4/124 |