Interface properties and electronic structures of aromatic molecules with anhydride and thio-functional groups on Ag (111) and Au (111) substrates
Yu Wei-Qi1, 2, Xiao Hong-Jun2, †, Wang Ge-Ming1
       

(a) Adsorption configuration with center of NTCDA molecule on bridge site of Au (111) substrate; (b) side view of molecule on Au (111) and on Ag (111); (c) Left part: side view for NTCDA on Au (111); right part: planar integration (x–y plane) of electron density difference ( Δ q ( z ) , e/Å); (d) Detailed distribution of electron density difference of NTCDA/Au (111). Isosurfaces for panels (c) and (d) are ± 0.012 e /Å3.