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Negatively-curved warped nanographene self-assembled on metal surfaces

José I. Urgel1*, Carlo A. Pignedoli1*, Roman Fasel1*

1 Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600, Dübendorf, Switzerland

* Corresponding authors emails: jose-ignacio.urgel@empa.ch, carlo.pignedoli@empa.ch, roman.fasel@empa.ch
DOI10.24435/materialscloud:2019.0045/v1 [version v1]

Publication date: Aug 27, 2019

How to cite this record

José I. Urgel, Carlo A. Pignedoli, Roman Fasel, Negatively-curved warped nanographene self-assembled on metal surfaces, Materials Cloud Archive 2019.0045/v1 (2019), doi: 10.24435/materialscloud:2019.0045/v1.

Description

In this work we characterize a conjugated polycyclic hydrocarbon containing multiple nonbenzenoid rings and exhibiting negative curvature—the warped nanographene C80H30. The record contains input files to reproduce the calculations discussed in the manuscript and the raw data of the experimental images discussed.

Materials Cloud sections using this data

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Files

File name Size Description
Read_YAML.ipynb
MD5md5:0b0f0b7becf356e28bc102f693d2a2b0
14.5 KiB example of jupyter notebook to read the README.yaml file, extract files from the tar and plot the raw version of experimental images
ReadMe.yaml
MD5md5:742e660c8462d71d7deaa8a342a9816f
33.6 KiB README file in yaml format detailing the content of the record
data.tgz
MD5md5:665f12277a5919741330ef887aafbe45
29.4 MiB 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

Journal reference (Manuscript in which the results are presented)
J. I. Urgel, M. Di Giovannantonio, Y. Segawa, P. Ruffieux, L. T. Scott, C. A. Pignedoli, K. Itami, R. Fasel J. Am. Chem. Soc. 141 (33), 13158−13164 (2019) doi:10.1021/jacs.9b05501

Keywords

MARVEL/DD3 ab initio scanning probe microscopy nanographene

Version history:

2019.0045/v1 (version v1) [This version] Aug 27, 2019 DOI10.24435/materialscloud:2019.0045/v1