title: Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires.
abstract: On-surface covalent self-assembly of organic molecules is a very promising bottom-up approach for producing atomically controlled nanostructures. Due to their highly tuneable properties, these structures may be used as building blocks in electronic carbon-based molecular devices. Following this idea, here we report on the electronic structure of an ordered array of poly(para-phenylene) nanowires produced by surface-catalysed dehalogenative reaction. By scanning tunnelling spectroscopy we follow the quantization of unoccupied molecular states as a function of oligomer length, with Fermi level crossing observed for long chains. Angle-resolved photoelectron spectroscopy reveals a quasi-1D valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the band structure, including the gap size and charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour.
authors.affiliation: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS, BP 70239, F-54506 Vandoeuvre-les-Nancy, France.
authors.forename: Guillaume
authors.initials: G
authors.lastname: Vasseur
authors.affiliation: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS, BP 70239, F-54506 Vandoeuvre-les-Nancy, France.
authors.forename: Yannick
authors.initials: Y
authors.lastname: Fagot-Revurat
authors.affiliation: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS, BP 70239, F-54506 Vandoeuvre-les-Nancy, France.
authors.forename: Muriel
authors.initials: M
authors.lastname: Sicot
authors.affiliation: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS, BP 70239, F-54506 Vandoeuvre-les-Nancy, France.
authors.forename: Bertrand
authors.initials: B
authors.lastname: Kierren
authors.affiliation: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS, BP 70239, F-54506 Vandoeuvre-les-Nancy, France.
authors.forename: Luc
authors.initials: L
authors.lastname: Moreau
authors.affiliation: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS, BP 70239, F-54506 Vandoeuvre-les-Nancy, France.
authors.forename: Daniel
authors.initials: D
authors.lastname: Malterre
authors.affiliation: Centre Énergie, Matériaux et Télécommunications, Institut National de la Recherche Scientifique, 1650 Boulevard Lionel-Boulet, Varennes, Quebec, Canada J3X 1S2.|IRCELYON, Institut de Recherches sur la Catalyse et l'Environnement de Lyon, Villeurbanne 69626, France.
authors.forename: Luis
authors.initials: L
authors.lastname: Cardenas
authors.affiliation: Centre Énergie, Matériaux et Télécommunications, Institut National de la Recherche Scientifique, 1650 Boulevard Lionel-Boulet, Varennes, Quebec, Canada J3X 1S2.
authors.forename: Gianluca
authors.initials: G
authors.lastname: Galeotti
authors.affiliation: Centre Énergie, Matériaux et Télécommunications, Institut National de la Recherche Scientifique, 1650 Boulevard Lionel-Boulet, Varennes, Quebec, Canada J3X 1S2.|Institute for Future Environments, Queensland University of Technology (QUT), 2 George Street, Brisbane, Queensland 4001, Australia.
authors.forename: Josh
authors.initials: J
authors.lastname: Lipton-Duffin
authors.affiliation: Centre Énergie, Matériaux et Télécommunications, Institut National de la Recherche Scientifique, 1650 Boulevard Lionel-Boulet, Varennes, Quebec, Canada J3X 1S2.|Institute for Fundamental and Frontier Science, University of Electronic Science and Technology of China, Chengdu 610054, China.
authors.forename: Federico
authors.initials: F
authors.lastname: Rosei
authors.affiliation: Instituto di Struttura della Materia, CNR, Via Fosso del Cavaliere 100, 00133 Roma, Italy.
authors.forename: Marco
authors.initials: M
authors.lastname: Di Giovannantonio
authors.affiliation: Instituto di Struttura della Materia, CNR, Via Fosso del Cavaliere 100, 00133 Roma, Italy.|Physics Department, University of Rome 'Tor Vergata', Via della Ricerca Scientifica 1, I-00133 Roma, Italy.
authors.forename: Giorgio
authors.initials: G
authors.lastname: Contini
authors.affiliation: Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif sur Yvette, France.
authors.forename: Patrick
authors.initials: P
authors.lastname: Le Fèvre
authors.affiliation: Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif sur Yvette, France.
authors.forename: François
authors.initials: F
authors.lastname: Bertran
authors.affiliation: Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180, USA.|Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: Liangbo
authors.identifier: http://orcid.org/0000-0003-1199-0049
authors.initials: L
authors.lastname: Liang
authors.affiliation: Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180, USA.
authors.forename: Vincent
authors.initials: V
authors.lastname: Meunier
authors.affiliation: Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal, Quebec, Canada H3A 0B8.
authors.forename: Dmitrii F
authors.initials: DF
authors.lastname: Perepichka