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

Talirz L, Sode H, Kawai S, Ruffieux P, Meyer E, Feng X, Muellen K, Fasel R, Pignedoli CA, Passerone D (2019)

Publication Type: Journal article

Publication year: 2019

Journal

ChemPhysChem Wiley

Book Volume: 20

Pages Range: 2348-2353

Journal Issue: 18

DOI: 10.1002/cphc.201900313

Abstract

We study the band gap of finite (Formula presented.) 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 8 nm and more is converged to within 50 meV of its bulk value of (Formula presented.), while the band gap opens by several hundred meV in very short 7-AGNRs. We demonstrate that even an atomic defect, such as the addition of one hydrogen atom at the termini, has a significant effect – in this case, lowering the band gap. The effect can be captured in terms of a simple analytical model by introducing an effective “electronic length”.

Involved external institutions

Eidgenössische Materialprüfungs- und Forschungsanstalt (Empa) / Swiss Federal Laboratories for Materials Science & Technology CH Switzerland (CH) Max-Planck-Institut für Polymerforschung (MPI-P) / Max Planck Institute for Polymer Research DE Germany (DE) National Institute of Materials Science (NIMS) JP Japan (JP) Universität Basel CH Switzerland (CH)

How to cite

APA:

Talirz, L., Sode, H., Kawai, S., Ruffieux, P., Meyer, E., Feng, X.,... Passerone, D. (2019). Band Gap of Atomically Precise Graphene Nanoribbons as a Function of Ribbon Length and Termination. ChemPhysChem, 20(18), 2348-2353. https://doi.org/10.1002/cphc.201900313

MLA:

Talirz, Leopold, et al. "Band Gap of Atomically Precise Graphene Nanoribbons as a Function of Ribbon Length and Termination." ChemPhysChem 20.18 (2019): 2348-2353.

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