DFT calculations indicate the Li|Li3OCl interface is structurally and electronically stable with localized charge redistribution, and lithium insertion is energetically unfavorable in most electrolyte layers.
Review on the lithium transport mechanism in solid-state battery materials.Wi- ley Interdisciplinary Reviews: Computational Molecular Science, 13(1):e1621
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Electrochemical stability and lithium insertion at the Li|Li3OCl solid electrolyte interface
DFT calculations indicate the Li|Li3OCl interface is structurally and electronically stable with localized charge redistribution, and lithium insertion is energetically unfavorable in most electrolyte layers.