Band Gap of Atomically Precise Graphene Nanoribbons as a Function of Ribbon Length and Termination

2019/10/03 by Leopold Talirz, Hajo Söde, Shigeki Kawai +7
Physics and Astronomy · #cond-mat.mes-hall #cond-mat.mtrl-sci

paper · pdf · doi:10.1002/cphc.201900313

published as Published in Chem Phys Chem 2019, 20, 2348-2353 · Submitted version (preprint, pre-reviewing) to ChemPhysChem (An invited contribution to a Special issue on On-SurfaceSynthesis)

arxiv created 2019/10/03 · arxiv updated 2019/10/04

Abstract

We study the band gap of finite N_A=7 armchair graphene nanoribbons (7-AGNRs) on Au(111) through scanning tunneling microscopy/spectroscopy combined with density functional theory calculations. The band gap of 7-AGNRs with lengths of 6 nm and more is converged to within 0.1 eV of its bulk value of 2.3 eV, while the band gap opens by several hundred meV in very short 7-AGNRs. The termination has a significant effect on the band gap, doubly hydrogenated termini yielding a lower band gap than singly hydrogenated ones.

Cited by

• Interfacial Coupling and Sparse Intercalation of 7-Atom-Wide Armchair Graphene Nanoribbons by N-Heterocyclic Carbene Monolayers