TY - JOUR
T1 - Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires
AU - Vasseur, Guillaume
AU - Fagot-Revurat, Yannick
AU - Sicot, Muriel
AU - Kierren, Bertrand
AU - Moreau, Luc
AU - Malterre, Daniel
AU - Cardenas, Luis
AU - Galeotti, Gianluca
AU - Lipton-Duffin, Josh
AU - Rosei, Federico
AU - Di Giovannantonio, Marco
AU - Contini, Giorgio
AU - Le Fèvre, Patrick
AU - Bertran, François
AU - Liang, Liangbo
AU - Meunier, Vincent
AU - Perepichka, Dmitrii F.
N1 - Funding Information:
This work is supported by the Conseil Franco-Québecois de Coopération Universitaire and the France-Italie International Program of Scientific Cooperation (PICS-CNRS). D.F.P. and F.R. are supported by NSERC Discovery Grants as well as an FRQNT team grant and an MEIE project (collaboration with Belgium). F.R. acknowledges NSERC for an EWR Steacie Memorial Fellowship and Elsevier for a grant from Applied Surface Science. L.C. acknowledges partial salary support through a personal fellowship from FRSQ. The theoretical work at Rensselaer Polytechnic Institute (RPI) was supported by New York State under NYSTAR program C080117 and the Office of Naval Research. L.L. was supported by Eugene P. Wigner Fellowship at Oak Ridge National Laboratory.
PY - 2016/1/4
Y1 - 2016/1/4
N2 - 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.
AB - 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.
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U2 - 10.1038/ncomms10235
DO - 10.1038/ncomms10235
M3 - Article
AN - SCOPUS:84953260841
SN - 2041-1723
VL - 7
JO - Nature communications
JF - Nature communications
M1 - 10235
ER -