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; Dmitrii F. Perepichka

doi:10.1038/ncomms10235

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, Dmitrii F. Perepichka

Nanomaterials Theory Institute

Research output: Contribution to journal › Article › peer-review

91 Scopus citations

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.

Original language	English
Article number	10235
Journal	Nature Communications
Volume	7
DOIs	https://doi.org/10.1038/ncomms10235
State	Published - Jan 4 2016

Funding

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.

Funders	Funder number
Applied Surface Science
Conseil Franco-Québecois de Coopération Universitaire
FRSQ
Office of Naval Research
Oak Ridge National Laboratory
Empire State Development's Division of Science, Technology and Innovation	C080117
Natural Sciences and Engineering Research Council of Canada
Fonds de recherche du Québec – Nature et technologies

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10.1038/ncomms10235

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Vasseur, G., Fagot-Revurat, Y., Sicot, M., Kierren, B., Moreau, L., Malterre, D., Cardenas, L., Galeotti, G., Lipton-Duffin, J., Rosei, F., Di Giovannantonio, M., Contini, G., Le Fèvre, P., Bertran, F., Liang, L., Meunier, V., & Perepichka, D. F. (2016). Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires. Nature Communications, 7, Article 10235. https://doi.org/10.1038/ncomms10235

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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.",

author = "Guillaume Vasseur and Yannick Fagot-Revurat and Muriel Sicot and Bertrand Kierren and Luc Moreau and Daniel Malterre and Luis Cardenas and Gianluca Galeotti and Josh Lipton-Duffin and Federico Rosei and {Di Giovannantonio}, Marco and Giorgio Contini and {Le F{\`e}vre}, Patrick and Fran{\c c}ois Bertran and Liangbo Liang and Vincent Meunier and Perepichka, {Dmitrii F.}",

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Vasseur, G, Fagot-Revurat, Y, Sicot, M, Kierren, B, Moreau, L, Malterre, D, Cardenas, L, Galeotti, G, Lipton-Duffin, J, Rosei, F, Di Giovannantonio, M, Contini, G, Le Fèvre, P, Bertran, F, Liang, L, Meunier, V & Perepichka, DF 2016, 'Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires', Nature Communications, vol. 7, 10235. https://doi.org/10.1038/ncomms10235

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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.

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

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