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Adsorption geometry and electronic properties of flat-lying monolayers of tetracene on the Ag(111) surface

Adsorption geometry and electronic properties of flat-lying monolayers of tetracene on the Ag(111) surface

The geometrical and electronic properties of the monolayer (ML) of tetracene (Tc) molecules on Ag(111) are systematically investigated by means of DFT calculations with the use of a localized basis set. The bridge and hollow adsorption positions of the molecule in the commensurate $\ensuremath{\gamma}$-Tc/Ag(111) are revealed to be the most …