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

Authors: 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, submitted on 15 July 2019)

How to cite this entry

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), doi: 10.24435/materialscloud:2019.0037/v1.

Description

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.

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Files

File name Size Description
ReadMe.yaml
MD5MD5: 2592a1bea7c17f7e8305a5861692538c
56.2 KiB README file in yaml format detailing the content of the record
data.tgz
MD5MD5: 96dbaca41167a098067949b2fc6b1516
177.5 MiB tar file containing all data
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

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 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

Keywords

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

Version history

15 July 2019 [This version]