Investigation of Nitrogen Doping Effects on the Performance of Graphene in Lithium-Ion Batteries Using Density Functional Theory
We performed first-principles calculations using density functional theory (DFT) with the CASTEP code in Materials Studio to investigate the adsorption behaviour of lithium (Li) on graphene featuring single defects. Our study employed the generalized gradient approximation (GGA-PBE) to analyse the a...
Salvato in:
| Autori principali: | , |
|---|---|
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Anhalt University of Applied Sciences
2025-12-01
|
| Serie: | Proceedings of the International Conference on Applied Innovations in IT |
| Soggetti: | |
| Accesso online: | https://icaiit.org/paper.php?paper=13th_ICAIIT_5/7_14 |
| Tags: |
Nessun Tag, puoi essere il primo ad aggiungerne!!
|