Open AccessAdsorption geometry and electronic structure of a charge-transfer-complex: TTF-PYZ2 on Ag(110)
Author(s) -
Patrick Kretz,
Kay Waltar,
Yanfang Geng,
Christian Metzger,
M. Graus,
A. Schöll,
F. Reinert,
Shixia Liu,
Silvio Decurtins,
Matthias Hengsberger,
Jürg Osterwalder,
Luca Castiglioni
Publication year - 2021
Publication title -
new journal of physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.584
H-Index - 190
ISSN - 1367-2630
DOI - 10.1088/1367-2630/abcace
Subject(s) - tetrathiafulvalene , molecule , physics , adsorption , valence (chemistry) , fermi level , charge (physics) , chemical physics , electronic structure , intermolecular force , atomic physics , crystallography , electron , condensed matter physics , chemistry , quantum mechanics
We study electronic properties and adsorption geometries of the molecular charge-transfer-complex tetrathiafulvalene-dipyrazine on Ag(110). Using a combination of angle-resolved photoemission and electron diffraction, supported by DFT-based simulations, renders a comprehensive picture of this interesting system. We find low interaction between the substrate and the molecule and thus little changes of the molecular geometry upon adsorption, as compared to the free gas phase molecule. Five electronic valence states can be unambiguously assigned owing to their distinctive photoemission patterns. The molecules adsorb aligned with the Ag rows in the first layer, while they are slightly rotated in the second layer. Additional intensity of the molecular photoemission signal near the Fermi energy indicates partial charge-transfer into formerly unoccupied states, most likely of intermolecular origin.