The Atomic and Electronic Structure Changes Upon Delithiation of LiCoO2: From First Principles Calculations

The physical origin of the degradation on the cycling performance of LiCoO2 upon deep lithium extraction is studied from first principles calculations. Results show that the structural stability is strongly associated with the electronic structures of Co-3d, which is very flexible and can be exhibit...

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Autores principales:	F. Xiong, H.J. Yan, Y. Chen, B. Xu, J.X. Le, C.Y. Ouyang
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	Elsevier 2012-10-01
Colección:	International Journal of Electrochemical Science
Materias:	Lithium ion batteries High voltage charging Structural stability LixCoO2 Electronic structure
Acceso en línea:	http://www.sciencedirect.com/science/article/pii/S1452398123162055
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