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.
Lithium battery chemistries enabled by solid-state electrolytes.Nature Re- views Materials, 2(4):1–16
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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.