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On-surface light-induced generation of higher acenes and elucidation of their open-shell character

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

1 Empa, Swiss Federal Laboratories for Material 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:2019.0037/v1 [version v1]

Publication date: Jul 15, 2019

How to cite this record

José I. Urgel, Carlo Antonio Pignedoli, Roman Fasel, On-surface light-induced generation of higher acenes and elucidation of their open-shell character, Materials Cloud Archive 2019.0037/v1 (2019), doi: 10.24435/materialscloud:2019.0037/v1.


In this work we demonstrate the on surface synthesis of nonacene and heptacene and we discuss their open shell character comparing experimental evidence to theoretical predictions. 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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File name Size Description
56.2 KiB README file in yaml format detailing the content of the record
177.5 MiB tar file containing all data
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


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 where the results are presented)
J. I. Urgel, S. Mishra, H. Hayashi, J. Wilhelm, C. A. Pignedoli, M. Di Giovannantonio, R. Widmer, M. Yamashita, N. Hieda, P. Ruffieux, H. Yamada and R. Fasel Nature Communications 10, 861 (2019). doi:10.1038/s41467-019-08650-y


MARVEL/DD3 GW on surface synthesis ab initio scanning probe microscopy

Version history:

2019.0037/v1 (version v1) [This version] Jul 15, 2019 DOI10.24435/materialscloud:2019.0037/v1