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On‐surface synthesis of edge‐extended zigzag graphene nanoribbons

Amogh Kinikar1*, Xiushang Xu2,3*, Marco Di Giovannantonio4,1*, Oliver Gröning1*, Kristjan Eimre1,5*, Carlo Antonio Pignedoli1*, Klaus Müllen3,6*, Akimitsu Narita2,3*, Pascal Ruffieux1*, Roman Fasel1,7*

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

2 Okinawa Institute of Science and Technology Graduate University, Kunigamigun 904-0495 (Japan)

3 Max Planck Institute for Polymer Research, 55128 Mainz (Germany)

4 Istituto di Struttura della Materia (ISM)-Consiglio Nazionale delle Ricerche (CNR), 00133 Roma (Italy)

5 EPFL, École polytechnique fédérale de Lausanne, NCCR MARVEL, 1951 Sion (Switzerland)

6 Institute of Physical Chemistry, Johannes Gutenberg, Universität Mainz, 55128 Mainz (Germany)

7 Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, 3012 Bern (Switzerland)

* Corresponding authors emails: amogh.kinikar@empa.ch, XIUSHANG.XU@OIST.JP, marco.digiovannantonio@ism.cnr.it, Oliver.Groening@empa.ch, kristjan.eimre@epfl.ch, carlo.pignedoli@empa.ch, muellen@mpip-mainz.mpg.de, akimitsu.narita@oist.jp, Pascal.Ruffieux@empa.ch, roman.fasel@empa.ch
DOI10.24435/materialscloud:jx-k9 [version v1]

Publication date: Oct 13, 2023

How to cite this record

Amogh Kinikar, Xiushang Xu, Marco Di Giovannantonio, Oliver Gröning, Kristjan Eimre, Carlo Antonio Pignedoli, Klaus Müllen, Akimitsu Narita, Pascal Ruffieux, Roman Fasel, On‐surface synthesis of edge‐extended zigzag graphene nanoribbons, Materials Cloud Archive 2023.155 (2023), doi: 10.24435/materialscloud:jx-k9.


In this record we provide the data to support our recent finding on the synthesis of edge-extended zigzag graphene nanoribbons. Graphene nanoribbons (GNRs) have gained significant attention in nanoelectronics due to their potential for precise tuning of electronic properties through variations in edge structure and ribbon width. However, the synthesis of GNRs with highly sought‐after zigzag edges (ZGNRs), critical for spintronics and quantum information technologies, remains challenging. In the manuscript where the data presented here is discussed, a design motif for synthesizing a novel class of GNRs termed edge‐extended ZGNRs is presented. This motif enables the controlled incorporation of edge extensions along the zigzag edges at regular intervals. The synthesis of a specific GNR instance—a 3‐zigzag‐rows‐wide ZGNR—with bisanthene units fused to the zigzag edges on alternating sides of the ribbon axis is successfully demonstrated. The resulting edge‐extended 3‐ZGNR is comprehensively characterized for its chemical structure and electronic properties using scanning probe techniques, complemented by density functional theory calculations. The design motif showcased in the manuscript opens up new possibilities for synthesizing a diverse range of edge‐extended ZGNRs, expanding the structural landscape of GNRs and facilitating the exploration of their structure‐dependent electronic properties.

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7.8 GiB AiiDA archive containing all the nodes of the calculations shown in the manuscript
35.2 KiB Readme file in yamls format detailing the content of the record
90.1 MiB tar file containing the files detailed in the ReadMe file


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on surface synthesis graphene nanoribbons density-functional theory MARVEL/P4 SNSF

Version history:

2023.155 (version v1) [This version] Oct 13, 2023 DOI10.24435/materialscloud:jx-k9