Quasi one-Dimensional Band Dispersion and Metallization In long Range Ordered Polymeric wires

Abstract

We study the electronic structure of an ordered array of poly(para-phenylene) chains produced by surface-catalyzed dehalogenative polymerization of 1,4-dibromobenzene on copper (110). The quantization of unoccupied molecular states is measured as a function of oligomer length by scanning tunneling spectroscopy, with Fermi level crossings observed for chains longer than ten phenyl rings. Angle-resolved photoelectron spectroscopy reveals a graphene-like quasi one-dimensional 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 organic band-structure, including the k dispersion, the gap size and electron charge transfer mechanisms which drive the system into metallic behaviour. Therefore the entire band structure of a carbon-based conducting wire has been fully determined. This may be taken as a fingerprint of π-conjugation of surface organic frameworks.

20 pages, 5 figures

References in corpus (4)

• Detection of Individual Gas Molecules Absorbed on Graphene
• Energy Gaps in Graphene Nanoribbons
• Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces
• Electronic Band Dispersion of Graphene Nanoribbons via Fourier-Transformed Scanning Tunneling Spectroscopy

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• Electronic structure tunability by periodic meta-ligand spacing in one-dimensional organic semiconductors
• Graphene: Free electron scattering within an inverted honeycomb lattice
• Direct writing of heterostructures in single atomically precise graphene nanoribbons
• Breakdown of Polarons in Conducting Polymers at Device Field Strengths
• Hierarchy in the halogen activation during surface-promoted Ullmann coupling
• On-surface synthesis and evolution of self-assembled poly($p$-phenylene) chains on Ag(111): a joint experimental and theoretical study