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.
Air-stable, high-conduction solid electrolytes of arsenic-substituted li 4 sns 4.Energy & Environmental Science, 7(3):1053–1058
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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.