First principle studies on stability of reactive products of Li-O and Li-S batteries
We investigated the phase stabilities of insoluble discharge products of oxygen and sulphur (Li2O, Li2S, Li2O2 and Li2S2 structures) formed in Li-O and Li-S batteries using density functional theory within the generalized gradient approximation. Their structural, electronic and mechanical properties...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2023-01-01
|
| Series: | MATEC Web of Conferences |
| Online Access: | https://www.matec-conferences.org/articles/matecconf/pdf/2023/15/matecconf_rapdasa2023_02007.pdf |