Enhanced Li-ion diffusion improves N2-to-NH3 current efficiency at 100 mA cm-2

The model and calculation details for Figure S17 are stored in “<b>0-cmd-solvent coordination</b>” folder;The model and calculation details for Figure 3A,B and Figure S18-22 are stored in “<b>1-opt-solvationenergy</b>” folder;The model and calculation details for Figure S28-29 are stored in “<b>2-aimd-li2co3-libcc</b>” folder;The model, calculation details, reaction video for Figure S4 are stored in “<b>3-hair-li2co3formation</b>” folder;The model and calculation details for Figure 3C and Figure S52 are stored in “<b>4-neb-diffusionbarrier</b>” folder;The model and calculation details for Figure S30-35 and Figure S64-65 are stored in "<b>5-echemdid-dynamicscell</b>” folder;The model for Figure S24 is stored in "<b>6-cpvasp-desolvation</b>” folder.The numerical data underlying the figures are respectively listed in the “<b>MS-data.xlsx</b>” and “<b>SI-data.xlsx</b>” files.