Abstract
We report an effective approach to control the growth of Li3N nanosheets on lithium anode. Comprehensive density functional theory (DFT)-based theoretical studies unveil the favorable growth directions of the Li3N nanosheets on Li metal substrate. The homogeneous layer of vertically grown Li3N nanosheets helps lithium-sulfur batteries to achieve exceptional dynamic as well as static stabilities. At high current rate of 2C (1C = 1672 mA h g–1), a lithium-sulfur battery containing the Li3N-passivated Li anode exhibits stable cycling performance over 1000 cycles, with average Coulombic efficiency of ~ 99.6%. A fully charged lithium-sulfur battery exhibits a highly stable open circuit potential (OCP) over 30 days of resting. Current outcomes open up an encouraging route to stabilize the lithium anode interface for the high-energy rechargeable lithium metal batteries.
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