supporting information

The detailed geometric parameters optimized by different functionals is supplemented in Table S1. The RESP and Hirshfeld charges of all atoms in [(2,2'-bpy)2Ag]22+ are listed in Table S2. Table S3 and S4 show the GKS-EDA results for different geometries on PES of [(2,2'-bpy)2Ag]22+ and bare Ag+-Ag+, respectively. The optimized geometries of dimer and monomer with different density functionals are also provided in Supporting Information.