Tailoring Bond Topologies in Open-Shell Graphene Nanostructures
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{
"citation": "S. Mishra, T. G. Lohr, C. A. Pignedoli, J. Liu, R. Berger, J.I. Urgel, K. M\u00fcllen, X. Feng, P. Ruffieux, and R. Fasel ACS Nano 12, 11917-11927 (2018)",
"url": "https://pubs.acs.org/doi/10.1021/acsnano.8b07225",
"comment": "Paper in which the results are described",
"doi": "10.1021/acsnano.8b07225",
"type": "Journal reference"
}
],
"mcid": "2019.0012/v1",
"id": "111",
"is_last": true,
"title": "Tailoring Bond Topologies in Open-Shell Graphene Nanostructures",
"publication_date": "Apr 07, 2019, 00:00:00",
"edited_by": 98,
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"description": "The data contained in this record, raw data of images and input files to reproduce calculations, support our recent report for the on-surface synthesis and characterization of two ultralow-gap open-shell molecules, namely peri-tetracene, a benzenoid graphene fragment with zigzag edge topology, and dibenzo[a,m]dicyclohepta[bcde,nopq]rubicene, a nonbenzenoid nonalternant structural isomer of peri-tetracene with two embedded azulene units. Our results provide an understanding of the ramifications of altered bond topologies at the single-molecule scale, with the prospect of designing functionalities in carbon-based nanostructures via engineering of bond topology ",
"status": "published",
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"keywords": [
"density functional theory",
"MARVEL/DD3",
"scanning tunneling microscopy",
"scanning tunneling spectroscopy",
"open-shell polycyclic aromatic hydrocarbons",
"nonalternant polycyclic aromatic hydrocarbons",
"atom manipulation"
],
"license": "Creative Commons Attribution 4.0 International",
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"contributors": [
{
"affiliations": [
"Empa - Swiss Federal Laboratories for Materials Science and Technology, \u00dcberlandstrasse 129, 8600 D\u00fcbendorf, Switzerland"
],
"familyname": "Mishra",
"givennames": "Shantanu"
},
{
"affiliations": [
"Empa - Swiss Federal Laboratories for Materials Science and Technology, \u00dcberlandstrasse 129, 8600 D\u00fcbendorf, Switzerland"
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"familyname": "Pignedoli",
"email": "carlo.pignedoli@empa.ch",
"givennames": "Carlo Antonio"
},
{
"affiliations": [
"Empa - Swiss Federal Laboratories for Materials Science and Technology, \u00dcberlandstrasse 129, 8600 D\u00fcbendorf, Switzerland"
],
"familyname": "Fasel",
"email": "roman.fasel@empa.ch",
"givennames": "Roman"
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