Surface-assisted polymerization of molecular monomers into extended chains can be used as the seed of graphene nanoribbon (GNR) formation, resulting from a subsequent cyclo-dehydrogenation process. By means of valence-band photoemission and ab initio density-functional theory (DFT) calculations, we investigate the evolution of molecular states from monomer 10,10?-dibromo-9,9?bianthracene (DBBA) precursors to polyanthryl polymers, and eventually to GNRs, as driven by the Au(110) surface. The molecular orbitals and the energy level alignment at the metal-organic interface are studied in depth for the DBBA precursors deposited at room temperature. On this basis, we identify a spectral fingerprint of C-Au interaction in both DBBA single-layer and polymerized chains obtained upon heating. Furthermore, DFT calculations help us by evidencing that GNRs interact more strongly than DBBA and polyanthryl with the Au(110) substrate, as a result of their flatter conformation.
Electronic Structure Evolution during the Growth of Graphene Nanoribbons on Au(110)
D Varsano;D Prezzi;A Ferretti;
2016
Abstract
Surface-assisted polymerization of molecular monomers into extended chains can be used as the seed of graphene nanoribbon (GNR) formation, resulting from a subsequent cyclo-dehydrogenation process. By means of valence-band photoemission and ab initio density-functional theory (DFT) calculations, we investigate the evolution of molecular states from monomer 10,10?-dibromo-9,9?bianthracene (DBBA) precursors to polyanthryl polymers, and eventually to GNRs, as driven by the Au(110) surface. The molecular orbitals and the energy level alignment at the metal-organic interface are studied in depth for the DBBA precursors deposited at room temperature. On this basis, we identify a spectral fingerprint of C-Au interaction in both DBBA single-layer and polymerized chains obtained upon heating. Furthermore, DFT calculations help us by evidencing that GNRs interact more strongly than DBBA and polyanthryl with the Au(110) substrate, as a result of their flatter conformation.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.