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) / DELLA PIA, Ada; Avvisati, Giulia; Ourdjini, Oualid; Cardoso, Claudia; Varsano, Daniele; Prezzi, Deborah; Ferretti, Andrea; Mariani, Carlo; Betti, Maria Grazia. - In: JOURNAL OF PHYSICAL CHEMISTRY. C. - ISSN 1932-7447. - 120:13(2016), pp. 7323-7331. [10.1021/acs.jpcc.5b11884]

Electronic structure evolution during the growth of graphene nanoribbons on Au(110)

DELLA PIA, ADA;AVVISATI, GIULIA;OURDJINI, OUALID;VARSANO, DANIELE;MARIANI, CARLO;BETTI, Maria Grazia
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.
2016
Physical and Theoretical Chemistry; Electronic; optical and magnetic materials; surfaces; coatings and films; energy (all)
01 Pubblicazione su rivista::01a Articolo in rivista
Electronic structure evolution during the growth of graphene nanoribbons on Au(110) / DELLA PIA, Ada; Avvisati, Giulia; Ourdjini, Oualid; Cardoso, Claudia; Varsano, Daniele; Prezzi, Deborah; Ferretti, Andrea; Mariani, Carlo; Betti, Maria Grazia. - In: JOURNAL OF PHYSICAL CHEMISTRY. C. - ISSN 1932-7447. - 120:13(2016), pp. 7323-7331. [10.1021/acs.jpcc.5b11884]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/873128
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