Tailoring Bond Topologies in Open-Shell Graphene Nanostructures
Creators
- 1. Empa - Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, 8600 Dübendorf, Switzerland
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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
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References
Journal reference (Paper in which the results are described) S. Mishra, T. G. Lohr, C. A. Pignedoli, J. Liu, R. Berger, J.I. Urgel, K. Müllen, X. Feng, P. Ruffieux, and R. Fasel ACS Nano 12, 11917-11927 (2018), doi: 10.1021/acsnano.8b07225