A matter of doping: Graphene nanoribbons (GNRs) were generated through an on‐surface bottom‐up synthesis and selectively doped at their edges by introducing nitrogen atoms in the precursor monomers. While the size of the band gap of 2.8 eV remains almost unchanged upon N substitution, a linear shift of the band structure is observed and corresponds to n‐type doping (see picture; CB=conduction band and VB=valence band).
We employ normal-incidence x-ray standing wave and temperature programed desorption spectroscopy to derive the adsorption geometry and energetics of the prototypical molecular switch azobenzene at Ag(111). This allows us to assess the accuracy of semiempirical correction schemes as a computationally efficient means to overcome the deficiency of semilocal density-functional theory with respect to long-range van der Waals (vdW) interactions. The obtained agreement underscores the significant improvement provided by the account of vdW interactions, with remaining differences mainly attributed to the neglect of electronic screening at the metallic surface.
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