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density functional calculations; electronic structure; monolayers; photoemission;
Abstract:
The electronic structures of naphthalene tetracarboxylic diimide (NTCDI) and 1,4-bis(4,6-diamino-1,3,5-triazin-2-yl)benzene (BDG) monolayer assemblies grown on Au(111) are investigated by photoemission spectroscopy, X-ray absorption, and density functional theory. The different spectroscopic features in the absorption and core-level photoemission spectra are understood in terms of contributions from different core and molecular levels at N- and O-atom sites. This study provides clear spectroscopic fingerprints for amine and imide functional end groups, which drive the self-organization process in a number of planar, π-conjugated molecular structures.X-ray absorption spectroscopy
