Leopold Talirz^1*, Hajo Söde², Shigeki Kawai³, Pascal Ruffieux², Ernst Meyer⁴, Xinliang Feng⁵, Klaus Müllen⁵, Roman Fasel⁶, Carlo A. Pignedoli^2*, 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), https://doi.org/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.

Materials Cloud sections using this data

Files

File name	Size	Description
data.tgz MD5md5:ff436eef60dea6b5daa65c7420b324a5	1.4 MiB	example of jupyter notebook to read the README.yaml file, extract files from the tar
ReadMe.yaml MD5md5:fa4537bfdb5ba87c75f10862bb7a9547	12.3 KiB	README file in yaml format detailing the content of the record
Read_YAML.ipynb MD5md5:0b0f0b7becf356e28bc102f693d2a2b0	14.5 KiB	tar file containing all data

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Keywords

DFT MARVEL/DD3 ab initio graphene nanoribbons STM