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

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...

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Detalhes bibliográficos
Principais autores:	Mueller, Timothy K., Hautier, Geoffroy, Jain, Anubhav, Ceder, Gerbrand
Outros Autores:	Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science
Formato:	Artigo
Idioma:	en_US
Publicado em:	American Chemical Society (ACS) 2013
Acesso em linha:	http://hdl.handle.net/1721.1/80303

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