Interface properties and electronic structures of aromatic molecules with anhydride and thio-functional groups on Ag (111) and Au (111) substrates

Yu Wei-Qi^{1, 2}, Xiao Hong-Jun^{2, †}, Wang Ge-Ming¹

Configurations and interface properties of PTCDA on Ag (111) and on Au (111): Side view (left part) and Δ q (z) (right part) for PTCDA (a) on Ag (111) and (b) on Au (111); (c) detailed distribution of electron density differences of PTCDA/Ag (111) and PTCDA/Au (111). The isosurfaces for panels (c) and (d) are ± 0.012 e /Å³ and ± 0.008 e /Å³, respectively.