Amogh Kinikar^1*, Xiushang Xu^2,3*, Marco Di Giovannantonio^4,1*, Oliver Gröning^1*, Kristjan Eimre^1,5*, Carlo Antonio Pignedoli^1*, Klaus Müllen^3,6*, Akimitsu Narita^2,3*, Pascal Ruffieux^1*, Roman Fasel^1,7*

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.

Description

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.

Materials Cloud sections using this data

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File name	Size	Description
calculations.aiida MD5md5:deec09597ab5512b914381bd6278947d Open this AiiDA archive on renkulab.io (https://renkulab.io/)	7.8 GiB	AiiDA archive containing all the nodes of the calculations shown in the manuscript
ReadMe.yaml MD5md5:b2b0be3dd8434893764437533e7c0a1c	35.2 KiB	Readme file in yamls format detailing the content of the record
data.tgz MD5md5:c5e0cce34d3a070a19300b0352c8dc5e	90.1 MiB	tar file containing the files detailed in the ReadMe file

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External references

Keywords

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