First-Principles Calculations of Lithiation of a Hydroxylated Surface of Amorphous Silicon Dioxide

Amorphous silicon dioxide films arise naturally by exposure of silicon surfaces to atmospheric environments. When used as electrodes in Li-ion batteries, the characterization of surface lithiation is relevant to the understanding of the performance of Si anodes. In this work, density functional theo...

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Veröffentlicht in:	Journal of physical chemistry. C 2015-07, Vol.119 (29), p.16424-16431
Hauptverfasser:	Perez-Beltran, Saul, Ramírez-Caballero, Gustavo E, Balbuena, Perla B
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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