Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires

Guillaume Vasseur, Yannick Fagot-Revurat (), Muriel Sicot, Bertrand Kierren, Luc Moreau, Daniel Malterre, Luis Cardenas, Gianluca Galeotti, Josh Lipton-Duffin, Federico Rosei, Marco Di Giovannantonio, Giorgio Contini, Patrick Le Fèvre, François Bertran, Liangbo Liang, Vincent Meunier and Dmitrii F. Perepichka
Additional contact information
Guillaume Vasseur: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS
Yannick Fagot-Revurat: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS
Muriel Sicot: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS
Bertrand Kierren: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS
Luc Moreau: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS
Daniel Malterre: Institut Jean Lamour, UMR 7198, Université de Lorraine/CNRS
Luis Cardenas: Centre Énergie, Matériaux et Télécommunications, Institut National de la Recherche Scientifique
Gianluca Galeotti: Centre Énergie, Matériaux et Télécommunications, Institut National de la Recherche Scientifique
Josh Lipton-Duffin: Centre Énergie, Matériaux et Télécommunications, Institut National de la Recherche Scientifique
Federico Rosei: Centre Énergie, Matériaux et Télécommunications, Institut National de la Recherche Scientifique
Marco Di Giovannantonio: Instituto di Struttura della Materia, CNR
Giorgio Contini: Instituto di Struttura della Materia, CNR
Patrick Le Fèvre: Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin
François Bertran: Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin
Liangbo Liang: Applied Physics, and Astronomy, Rensselaer Polytechnic Institute
Vincent Meunier: Applied Physics, and Astronomy, Rensselaer Polytechnic Institute
Dmitrii F. Perepichka: McGill University

Nature Communications, 2016, vol. 7, issue 1, 1-9

Abstract: 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.

Date: 2016
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DOI: 10.1038/ncomms10235

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