Korringa–Kohn–Rostoker (KKR) method
NCM
cathode active material (CAM)
coherent potential approximation (CPA)
density functional theory (DFT)
disorder effects
lithium-ion battery
Journal
Journal of physics. Condensed matter : an Institute of Physics journal
ISSN: 1361-648X
Titre abrégé: J Phys Condens Matter
Pays: England
ID NLM: 101165248
Informations de publication
Date de publication:
10 Jun 2022
10 Jun 2022
Historique:
received:
25
03
2022
accepted:
31
05
2022
pubmed:
1
6
2022
medline:
1
6
2022
entrez:
31
5
2022
Statut:
epublish
Résumé
Disorder effects in alloys are usually modeled by averaging various supercell calculations considering different positions of the alloy atoms. This approach, however, is only possible as long as the portion of the individual components of the alloy is sufficiently large. Herein, we present an
Identifiants
pubmed: 35640589
doi: 10.1088/1361-648X/ac7502
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Informations de copyright
Creative Commons Attribution license.