Electronic properties of on-surface synthesized (4,1,4) chiral graphene nanoribbons

DOI

<p>Chiral graphene nanoribbons offer a versatile playground to control electronic and magnetic prop-erties in a onedimensional graphene nanostructure. In a recent publication, we report on the on-surface synthesis of (4,1,4) chiral graphene nanoribbons (chGNRs) and characterize their structure, edge states and band gaps using scanning probe techniques and DFT simulations, the latter revealing a critical dependence on the environment of the electronic and magnetic properties of (4,1,4)-chGNRs. While gas phase calculations predict an open-shell ground state, the influence of the metallic substrate upon adsorption modifies the electronic properties as predicted by GW calculations. In this theoretical frame, the experimental band gap of surface-supported (4,1,4)-chGNRs can only be reproduced assuming a closed-shell configuration.<br>This record contains data to support the results discussed in our manuscript.</p>

Identifier
DOI https://doi.org/10.24435/materialscloud:zd-55
Related Identifier https://doi.org/10.1016/j.carbon.2025.120610
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:8n-hw
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:xywsq-px263
Provenance
Creator Deniz, Okan; Sanchez-Sanchez, Carlos; Chen, Qianq; Shinde, Prashant; Pignedoli, Carlo A.; Liu, Junzhi; Feng, Xinliang; Narita, Akimitsu; Müllen, Klaus; Fasel, Roman; Passerone, Daniele; Ruffieux, Pascal
Publisher Materials Cloud
Contributor Ruffieux, Pascal
Publication Year 2026
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format text/plain; application/octet-stream; application/gzip
Discipline Materials Science and Engineering