Molecule-Driven Substrate Reconstruction in the Two-Dimensional Self-Organization of Fe-Phthalocyanines on Au(110)Fortuna, Sara (Avtor)
Gargiani, Pierluigi (Avtor)
Betti, Maria Grazia (Avtor)
Mariani, Carlo (Avtor)
Calzolari, Arrigo (Avtor)
Modesti, Silvio (Avtor)
Fabris, Stefano (Avtor)
self-assemblyphthalocyanineAu(110)DFTdensity functional theorysimulationsurfacerecontructionThe structural patterns formed by molecular self-assembly at surfaces are usually controlled by the relative strengths of the intermolecular and molecule–substrate interactions. An additional steering effect is present when the substrate can easily reconstruct upon molecular adsorption, which therefore drives a self-templating effect on the metal support. This is here demonstrated for the model case of Fe-phthalocyanine molecules adsorbed on the Au(110) surface. Scanning tunneling microscopy shows that molecular adsorption promotes a local (1 × 5) surface reconstruction, which drives the assembly of molecular chains along the [11̅0] direction. The order and periodicity of the molecular assemblies are determined with low energy electron diffraction patterns. Density functional theory calculations reveal the energetic origins of the molecule-driven substrate reconstruction. Since the function of molecular overlayers at surfaces is strongly correlated to their structure, these results have implications in the design of new metal/molecular interfaces.20122016-10-10 13:54:10Delo ni kategorizirano2663COBISS_ID: 4534267DOI: 10.1021/jp211036mNUK URN: URN:SI:UNG:REP:FF3IHYZSsl