Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing

Cathode materials with structure similar to the mineral tavorite have shown promise for use in lithium-ion batteries, but this class of materials is relatively unexplored. We use high-throughput density-functional-theory calculations to evaluate tavorite-structured oxyphosphates, fluorophosphates, o...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Chemistry of materials 2011-09, Vol.23 (17), p.3854-3862
Hauptverfasser:	Mueller, Tim, Hautier, Geoffroy, Jain, Anubhav, Ceder, Gerbrand
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!