2026-07-06T08:48:58Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:xywsq-px263 2026-01-09T15:45:21Z community-mcarchive openaire_data

Ruffieux, Pascal 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 2026-01-09 <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> text/plain application/octet-stream application/gzip https://doi.org/10.24435/materialscloud:zd-55 oai:materialscloud.org:xywsq-px263 mcid:2026.15 eng Materials Cloud https://doi.org/10.1016/j.carbon.2025.120610 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:8n-hw info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode MARVEL/ASM graphene nanoribbons On-surface synthesis GW approximation STM Electronic properties of on-surface synthesized (4,1,4) chiral graphene nanoribbons info:eu-repo/semantics/other