Electronic structure, sodium diffusion and redox potentials of low-symmetry NaMFe(MoO

Autor:	Alexander V, Serdtsev, Nadezhda I, Medvedeva
Rok vydání:	2022
Zdroj:	Journal of computational chemistryREFERENCES. 43(14)
ISSN:	1096-987X
Popis:	Sodium polyanionic compounds with transition metals are of considerable research interest for the search of new cathode materials for sodium-ion batteries. In this work, we employed ab initio calculations to evaluate three key battery properties: phase stability, diffusion barriers and redox voltage of low-symmetry molybdates NaMFe(MoO
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=pmid________::24795b999f1f2cfe5577b214ca330747 https://pubmed.ncbi.nlm.nih.gov/35466447 Zobrazit plný text záznamu Plný text