Adsorption geometry and electronic structure of a charge-transfer-complex: TTF-PYZ₂ on Ag(110)

Abstract We study electronic properties and adsorption geometries of the molecular charge-transfer-complex tetrathiafulvalene-dipyrazine on Ag(110). Using a combination angle-resolved photoemission electron diffraction, supported by DFT-based simulations, renders comprehensive picture this interesting system. find low interaction between substrate molecule thus little changes geometry upon adsorption, as compared to free gas phase molecule. Five valence states can be unambiguously assigned owing their distinctive patterns. The molecules adsorb aligned with Ag rows in first layer, while they are slightly rotated second layer. Additional intensity signal near Fermi energy indicates partial charge-transfer into formerly unoccupied states, most likely intermolecular origin.