materialscloud:2019.0069/v1

Band gap of atomically precise graphene nanoribbons as a function of ribbon length and termination

Leopold Talirz1*, Hajo Söde2, Shigeki Kawai3, Pascal Ruffieux2, Ernst Meyer4, Xinliang Feng5, Klaus Müllen5, Roman Fasel6, Carlo A. Pignedoli2*, Daniele Passerone2

1 nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland and Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingenierie Chimiques, Valais, École Polytechnique Fédérale de Lausanne, 1950 Sion, Switzerland

2 nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland

3 International Center for Materials Nanoarchitectonics, National Institute for Materials Science, 1-1, Namiki, Tsukuba, Ibaraki 305-0044, Japan

4 Departmentof Physics and Swiss Nanoscience Institute, University of Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland

5 Max Planck Institute for Polymer Research, 55128 Mainz, Germany

6 nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland and and Department of Chemistry and Biochemistry, University of Bern, 3012 Bern, Switzerland

* Corresponding authors emails: leopold.talirz@epfl.ch , carlo.pignedoli@empa.ch
DOI10.24435/materialscloud:2019.0069/v1 [version v1]

Publication date: Oct 28, 2019

How to cite this record

Leopold Talirz, Hajo Söde, Shigeki Kawai, Pascal Ruffieux, Ernst Meyer, Xinliang Feng, Klaus Müllen, Roman Fasel, Carlo A. Pignedoli, Daniele Passerone, Band gap of atomically precise graphene nanoribbons as a function of ribbon length and termination, Materials Cloud Archive 2019.0069/v1 (2019), doi: 10.24435/materialscloud:2019.0069/v1.

Description

The record contains the theoretical data supporting a recent publication where we discuss the band gap of finite armchair graphene nanoribbons with a width of seven rows of carbon atoms (7‐AGNRs) on Au(111) through scanning tunneling microscopy/spectroscopy combined with density functional theory calculations.

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License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.

External references

Journal reference (Manuscript where the data are discussed)
L. Talirz, H. Söde, S. Kawai, P. Ruffieux, E. Meyer, X. Feng, K. Müllen, R. Fasel, C. A. Pignedoli, D. Passerone ChemPhysChem 20, 2348-2353 (2019). doi:10.1002/cphc.201900313

Keywords

DFT MARVEL/DD3 ab initio graphene nanoribbons STM

Version history:

2019.0069/v1 (version v1) [This version] Oct 28, 2019 DOI10.24435/materialscloud:2019.0069/v1