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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Bibliografski detalji

Glavni autori:	F. Xiong, H.J. Yan, Y. Chen, B. Xu, J.X. Le, C.Y. Ouyang
Format:	Artigo
Jezik:	Inglês
Izdano:	Elsevier 2012-10-01
Serija:	International Journal of Electrochemical Science
Teme:	Lithium ion batteries High voltage charging Structural stability LixCoO2 Electronic structure
Online pristup:	http://www.sciencedirect.com/science/article/pii/S1452398123162055
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