| Autor: |
Carvalho, Alexandra, Nair, Vivek, Echeverrigaray, Sergio G., Neto, and Antonio H. Castro |
| Rok vydání: |
2024 |
| Předmět: |
|
| Druh dokumentu: |
Working Paper |
| Popis: |
We have investigated the lithium capacity of the 2H phase of niobium sulphide (NbS2) using density functional theory calculations and experiments. Theoretically, this material is found to allow the intercalation of a double layer of Li in between each NbS2 layer when in equilibrium with metal Li. The resulting specific capacity (340.8 mAh/g for the pristine material, 681.6 mAh/g for oxidized material) can reach more than double the specific capacity of graphite anodes. The presence of various defects leads to an even higher capacity with a partially reversible conversion of the material, indicating that the performance of the anodes is robust with respect to the presence of defects. Experiments in battery prototypes with NbS2-based anodes find a first specific capacity of about 1,130 mAh/g, exceeding the theoretical predictions. |
| Databáze: |
arXiv |
| Externí odkaz: |
|
