Degradation Mechanism of Dimethyl Carbonate (DMC) Dissociation on the LiCoO2 Cathode Surface: A First-Principles Study

The degradation mechanism of dimethyl carbonate electrolyte dissociation on the (010) surfaces of LiCoO2 and delithiated Li1/3CoO2 were investigated by periodic density functional theory. The high-throughput Madelung matrix calculation was employed to screen possible Li1/3CoO2 supercells for models...

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Veröffentlicht in:	ACS applied materials & interfaces 2017-10, Vol.9 (41), p.36377-36384
Hauptverfasser:	Huai, Liyuan, Chen, Zhenlian, Li, Jun
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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